Author: Jessica.F

Dietrich, Bernard et al. published their research in Helvetica Chimica Acta in 1985 | CAS: 7528-78-1

3,3′,3”-Nitrilotripropanenitrile (cas: 7528-78-1) belongs to nitriles. Nitriles are polar, as indicated by high dipole moments. As liquids, they have high relative permittivities, often in the 30s. Some nitriles are manufactured by heating carboxylic acids with ammonia in the presence of catalysts. This process is used to make nitriles from natural fats and oils, the products being used as softening agents in synthetic rubbers, plastics, and textiles and for making amines.Reference of 7528-78-1

Synthesis of macrobicyclic polyamines by direct macrobicyclization via tripode-tripode coupling was written by Dietrich, Bernard;Hosseini, Mir Wais;Lehn, Jean Marie;Sessions, Richard B.. And the article was included in Helvetica Chimica Acta in 1985.Reference of 7528-78-1 This article mentions the following:

Five macrobicyclic polyamines, e.g., I, were prepared by a coupling reaction involving two tripodal subunits. The key macrobicyclization steps involve condensation of a tris-terminal tosylamine tripodal subunit with a tris-terminal tripodal mesylate. Thus, Michael addition of Me acrylate with N(CH2CH2CH2NHTs)3 (II; Ts = tosyl) gave the triester, which was reduced and mesylated to give N(CH2CH2CH2NTsCH2CH2CH2OMs)3 (III; Ms = mesyl). Tripode III was condensed with tripode II at 95° in DMF in the presence of Cs2CO3 to give the macrobicyclic hexatosylamine in 50% yield. The last was detosylated with PhOH in HBr/AcOH to give I as the HBr salt. In the experiment, the researchers used many compounds, for example, 3,3′,3”-Nitrilotripropanenitrile (cas: 7528-78-1Reference of 7528-78-1).

3,3′,3”-Nitrilotripropanenitrile (cas: 7528-78-1) belongs to nitriles. Nitriles are polar, as indicated by high dipole moments. As liquids, they have high relative permittivities, often in the 30s. Some nitriles are manufactured by heating carboxylic acids with ammonia in the presence of catalysts. This process is used to make nitriles from natural fats and oils, the products being used as softening agents in synthetic rubbers, plastics, and textiles and for making amines.Reference of 7528-78-1

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Zhou, Xiaowei et al. published their research in Journal of Molecular Catalysis A: Chemical in 2012 | CAS: 101219-69-6

(R)-4-(1-Hydroxyethyl)benzonitrile (cas: 101219-69-6) belongs to nitriles. Nitrile compounds can be prepared by the incorporation of a cyanide source through C–C bond formation or by dehydration of primary carboxamides. Some nitriles are manufactured by heating carboxylic acids with ammonia in the presence of catalysts. This process is used to make nitriles from natural fats and oils, the products being used as softening agents in synthetic rubbers, plastics, and textiles and for making amines.Name: (R)-4-(1-Hydroxyethyl)benzonitrile

Varying the ratio of formic acid to triethylamine impacts on asymmetric transfer hydrogenation of ketones was written by Zhou, Xiaowei;Wu, Xiaofeng;Yang, Bolun;Xiao, Jianliang. And the article was included in Journal of Molecular Catalysis A: Chemical in 2012.Name: (R)-4-(1-Hydroxyethyl)benzonitrile This article mentions the following:

Asym. transfer hydrogenation (ATH) is frequently carried out in the azeotropic mixture of formic acid (F) and triethylamine (T), where the F/T molar ratio is 2.5. This study shows that the F/T ratio affects both the reduction rate and enantioselectivity, with the optimum ratio being 0.2 in the ATH of ketones with the Ru-TsDPEN catalyst. Under such conditions, a range of substrates have been reduced, affording high yields and good to excellent enantioselectivities. In comparison with the common azeotropic F-T system, the reduction is faster. This protocol improves both the classic azeotropic and the aqueous-formate system when using water-insoluble ketones. In the experiment, the researchers used many compounds, for example, (R)-4-(1-Hydroxyethyl)benzonitrile (cas: 101219-69-6Name: (R)-4-(1-Hydroxyethyl)benzonitrile).

(R)-4-(1-Hydroxyethyl)benzonitrile (cas: 101219-69-6) belongs to nitriles. Nitrile compounds can be prepared by the incorporation of a cyanide source through C–C bond formation or by dehydration of primary carboxamides. Some nitriles are manufactured by heating carboxylic acids with ammonia in the presence of catalysts. This process is used to make nitriles from natural fats and oils, the products being used as softening agents in synthetic rubbers, plastics, and textiles and for making amines.Name: (R)-4-(1-Hydroxyethyl)benzonitrile

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Biswas, Kallolmay et al. published their research in Angewandte Chemie, International Edition in 2005 | CAS: 101219-69-6

(R)-4-(1-Hydroxyethyl)benzonitrile (cas: 101219-69-6) belongs to nitriles. Trimerization of aromatic nitriles requires harsh reaction conditions, high temperatures, long reaction times, and pressure. Industrially, the main methods for producing nitriles are ammoxidation and hydrocyanation. Both routes are green in the sense that they do not generate stoichiometric amounts of salts.Computed Properties of C9H9NO

Remarkably stable (Me3Al)2·DABCO and stereoselective nickel-catalyzed AlR3 (R = Me, Et) additions to aldehydes was written by Biswas, Kallolmay;Prieto, Oscar;Goldsmith, Paul J.;Woodward, Simon. And the article was included in Angewandte Chemie, International Edition in 2005.Computed Properties of C9H9NO This article mentions the following:

Chiral nonracemic secondary alcs. are prepared by the addition of either bis(trialkylaluminum) adducts of DABCO or trialkylaluminum reagents to aldehydes in the presence of Ni(acac)2 and the Feringa binaphthyl phosphoramidite ligand derived from (R)-BINOL and (S,S)-N,N-bis(1-phenylethyl)amine. In the experiment, the researchers used many compounds, for example, (R)-4-(1-Hydroxyethyl)benzonitrile (cas: 101219-69-6Computed Properties of C9H9NO).

(R)-4-(1-Hydroxyethyl)benzonitrile (cas: 101219-69-6) belongs to nitriles. Trimerization of aromatic nitriles requires harsh reaction conditions, high temperatures, long reaction times, and pressure. Industrially, the main methods for producing nitriles are ammoxidation and hydrocyanation. Both routes are green in the sense that they do not generate stoichiometric amounts of salts.Computed Properties of C9H9NO

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Guo, Haotian et al. published their research in ACS Sustainable Chemistry & Engineering in 2019 | CAS: 10282-32-3

4-(Benzylamino)benzonitrile (cas: 10282-32-3) belongs to nitriles. Trimerization of aromatic nitriles requires harsh reaction conditions, high temperatures, long reaction times, and pressure. In addition, Nitriles can react with alkynes, which leads to an increase in carbon chain length (carbocyanation).Quality Control of 4-(Benzylamino)benzonitrile

N,S-Codoped Carbon Shells Embedded with Ultrafine Co NPs for Reductive Amination with Formic Acid was written by Guo, Haotian;Wang, Bowei;Qiu, Pengzhi;Gao, Ruixiao;Sun, Mingming;Chen, Ligong. And the article was included in ACS Sustainable Chemistry & Engineering in 2019.Quality Control of 4-(Benzylamino)benzonitrile This article mentions the following:

Herein, N,S-codoped carbon materials embedded with ultrafine and well-distributed Co nanoparticles (1.14 weight % Co) were prepared through pyrolysis of the hybrids of SNW-1 and Co(Ac)2 coated with glucose. It was observed by TEM and x-ray diffraction that Co nanoparticles (NPs) were entrapped in doped carbon shells uniformly. The glucose coating presented a significant impact on the size distribution of Co NPs and doped modes of heteroatoms, especially the S species. The catalyst displayed outstanding activity for catalytic transfer hydrogenation (CTH) with formic acid under the base-free system. Encouragingly, diverse secondary amines were produced in excellent yields through the domino reaction of hydrogenation and reductive amination. Remarkably, the catalyst with ultrafine Co NPs showed good durability under harsh reaction conditions and displayed no significant loss in both activity and selectivity in 5 runs. This was attributed to the protection of constructed N,S dual-doped carbon shells. Hence, we offer an alternative strategy for the construction of dual-doped carbon materials trapped with ultrafine transition metal, which can be further applied in various catalytic processes. In the experiment, the researchers used many compounds, for example, 4-(Benzylamino)benzonitrile (cas: 10282-32-3Quality Control of 4-(Benzylamino)benzonitrile).

4-(Benzylamino)benzonitrile (cas: 10282-32-3) belongs to nitriles. Trimerization of aromatic nitriles requires harsh reaction conditions, high temperatures, long reaction times, and pressure. In addition, Nitriles can react with alkynes, which leads to an increase in carbon chain length (carbocyanation).Quality Control of 4-(Benzylamino)benzonitrile

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Areschka, Alex et al. published their research in Bulletin de la Societe Chimique de France in 1958 | CAS: 67197-53-9

2-(2,6-Dibromophenyl)acetonitrile (cas: 67197-53-9) belongs to nitriles. Nitriles are polar, as indicated by high dipole moments. As liquids, they have high relative permittivities, often in the 30s. Nitrile groups in organic compounds can undergo a variety of reactions depending on the reactants or conditions. A nitrile group can be hydrolyzed, reduced, or ejected from a molecule as a cyanide ion.SDS of cas: 67197-53-9

Spectrographic method for the detection of active methylene groups and synthesis of several styrene and stilbene derivatives. VII. Bromo derivatives of phenylacetonitrile was written by Areschka, Alex;Bruylants, Albert. And the article was included in Bulletin de la Societe Chimique de France in 1958.SDS of cas: 67197-53-9 This article mentions the following:

By the same methods as in the preceding abstract the order of decreasing acidity of the cyanomethyl group in Br derivatives of PhCH2CN is 4-Br > 2,4-di-Br > 2-Br > 2,4,6-tri-Br > 2,6-di-Br. The rate of formation and yields of cyanostilbenes from these compounds and BzH (I) or p-Me2NC6H4CHO (II) decrease in the order of decreasing acidity (Br location, aldehyde, reaction time in days, yield of cyanostilbene, and m.p. are given): 4-, I, 0, 99, 109-12°, 129-54.5° (geometric isomers); 4-, II, 0, 99, 193-3.5°; 2,4-, I, 45 min., 99, 141-2°; 2,4-, II, 1, 82, 126-7°; 2-, I, 1, 64, 71.5-2°; 2-, II, 1, 60, 137-9°; 2,4,6-, I, 8, 43, 132.8-144.8°; 2,4,6-, II, 8, 30, 164.5-5.5°; 2,6-, I, 8, 27, 118.5-20°; 2,6-, II, 8, 24, 187-8.5°. 2,4-Br2C6H3CH2CN, m. 83.5-4.5°, is prepared in 24% yield from 3-H2NC6H4Me by acetylation, bromination, deacetylation, deamination, side chain bromination and cyanation, and the 2,6-di-Br isomer, m. 97-7.5°, in 15% yield from 4-O2NC6H4CH3 by bromination, reduction, deamination, side chain bromination and cyanation. A new synthesis of 2,4,6-Br3C6H2CH2CN from 3-O2NC6H4CH2CN by reduction, bromination, and deamination is given. In the experiment, the researchers used many compounds, for example, 2-(2,6-Dibromophenyl)acetonitrile (cas: 67197-53-9SDS of cas: 67197-53-9).

2-(2,6-Dibromophenyl)acetonitrile (cas: 67197-53-9) belongs to nitriles. Nitriles are polar, as indicated by high dipole moments. As liquids, they have high relative permittivities, often in the 30s. Nitrile groups in organic compounds can undergo a variety of reactions depending on the reactants or conditions. A nitrile group can be hydrolyzed, reduced, or ejected from a molecule as a cyanide ion.SDS of cas: 67197-53-9

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Han, Shuo et al. published their research in Journal of Chemical Thermodynamics in 2016 | CAS: 58168-20-0

Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate (cas: 58168-20-0) belongs to nitriles. Nitrile compounds can be prepared by the incorporation of a cyanide source through C–C bond formation or by dehydration of primary carboxamides. Asymmetric bioreduction of nitriles is an attractive route to produce optically active nitriles as current metal-catalyzed hydrogenations tend to have low reactivity.HPLC of Formula: 58168-20-0

Solubility and solution thermodynamics of ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)-2-thiophenecarboxylate in nine organic solvents at evaluated temperatures was written by Han, Shuo;Meng, Long;Du, Cunbin;Xu, Jian;Cheng, Chao;Wang, Jian;Zhao, Hongkun. And the article was included in Journal of Chemical Thermodynamics in 2016.HPLC of Formula: 58168-20-0 This article mentions the following:

Knowledge of solubility for Et 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)-2-thiophenecarboxylate (ACET) in different solvents is essential for its purification and further theor. studies. In this paper, the solubility of ACET in selected pure solvents, including methanol, ethanol, 1-butanol, n-propanol, isopropanol, toluene, Et acetate, acetonitrile and acetone were acquired by a high-performance liquid chromatog. (HPLC) at T = (273.15, 278.15, 283.15, 288.15, 293.15, 298.15, 303.15, 308.15, 313.15 and 318.15) K under pressure of 0.1 MPa. Generally, they obeyed the following order from high to low in different solvents: acetone > Et acetate > acetonitrile > methanol > ethanol > isopropanol > n-propanol > 1-butanol > toluene. The obtained solubility data of ACET in selected solvents were correlated by the van’t Hoff equation, modified Apelblat equation, λh equation, Wilson model and NRTL model. The correlated values of the five equations agreed well with the exptl. values and the Wilson model gives better correlation results than other models. Furthermore, the standard dissolution enthalpy and excess enthalpy for dissolution process of ACET were calculated from the exptl. solubility by using the van’t Hoff equation. The solubility values of ACET in different solvents and thermodn. relations would be invoked as fundamental data and models regarding the crystallization process of ACET. In the experiment, the researchers used many compounds, for example, Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate (cas: 58168-20-0HPLC of Formula: 58168-20-0).

Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate (cas: 58168-20-0) belongs to nitriles. Nitrile compounds can be prepared by the incorporation of a cyanide source through C–C bond formation or by dehydration of primary carboxamides. Asymmetric bioreduction of nitriles is an attractive route to produce optically active nitriles as current metal-catalyzed hydrogenations tend to have low reactivity.HPLC of Formula: 58168-20-0

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Hu, Yong-Xu’s team published research in Dyes and Pigments in 2019-07-31 | CAS: 100-70-9

Dyes and Pigments published new progress about Band gap. 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, Quality Control of 100-70-9.

Hu, Yong-Xu published the artcileNovel Ir(III) complexes ligated with 2-(2,6-difluoropyridin-3-yl)benzo[d]thiazole for highly efficient OLEDs with mild efficiency roll-off, Quality Control of 100-70-9, the main research area is iridium complex ligated difluoropyridinylbenzothiazole OLED efficiency.

2-Phenylbenzothiazole-based Ir(III) complex [(bt)2Ir(acac)] is a class of typical yellow phosphorescence material, which has been widely used in OLEDs. However, (bt)2Ir(acac) exhibited only mild photoluminescence quantum efficiency (PLQY) of 0.26-0.28. To further improve the luminous efficiency of benzothiazole-based Ir(III) complex and then boost the corresponding electroluminescent performance, (fpbt)2Ir(pic) and (fpbt)2Ir(tftp) were successfully synthesized, where 2-(2,6-difluoropyridin-3-yl)benzo[d]thiazole (fpbt) was applied as C∩N main ligand, and 2-pyridine carboxylic acid (pic), 2-(3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl)pyridine (tftp) acted as different auxiliary ligands. Both (fpbt)2Ir(pic) and (fpbt)2Ir(tftp) presented excellent PLQYs (0.93-0.95) and high thermostability (330-360 °C). The vacuum-deposited devices following the architecture of ITO/TAPC/CBP: dopant/TPBi/Liq/Al demonstrated prominent performances. Of them, (fpbt)2Ir(pic)-doped OLEDs exhibited better efficiencies of 20.6%, 68.8 cd A-1, and 40.8 l m W-1 while maintaining very mild efficiency roll-off. Such outstanding electrophosphorescent performances were further investigated, which was probably attributed to the following factors: (1) high PLQY; (2) good electron mobility; (3) uniform film-forming property.

Dyes and Pigments published new progress about Band gap. 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, Quality Control of 100-70-9.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Kumar, Deepak’s team published research in Journal of Molecular Structure in 2022-07-15 | CAS: 100-70-9

Journal of Molecular Structure published new progress about Band gap. 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, SDS of cas: 100-70-9.

Kumar, Deepak published the artcileSyntheses and characterizations of calcium and strontium based coordination compounds with the 5-(2-pyridyl)tetrazolate ligand, respectively exhibiting extended 1 D and 2 D structures, SDS of cas: 100-70-9, the main research area is calcium strontium pyridyltetrazolate complex preparation crystal structure luminescence; thermal stability calcium strontium pyridyltetrazolate complex.

Coordination compounds of calcium and strontium with 5-(2-pyridyl)tetrazolate ligand (2-PTZ) were obtained by the reactions of the resp. metal nitrates with 2-cyanopyridine, 2-cyanoacetamide and sodium azide in aqueous solutions Both the complexes have similar composition i.e. [M(2-PTZ)2(H2O)4]n.2nH2O where M = Ca(II) (1) and Sr(II) (2). The products were characterized by FTIR spectra and single-crystal x-ray diffractions. Their photoluminescences, bandgaps, and thermal properties were studied. Single crystal x-ray diffractions revealed that both 1 and 2 have distorted square anti-prismatic mol. geometries wherein the two 2-PTZ anions act as bidentate ligands by coordinating via their pyridine-N and tetrazole-N atoms. In both the mols. six water mols., of which four acting as monodentate ligands, and the remaining two in the lattices were present. The lattice H2O mols. significantly stabilized the structures through N··H··O hydrogen bonds with the 2-PTZ ligands in the structures. Compound 2 (with around 50% decomposition) shows better thermal stability than calcium-based compound 1(72% decomposition).

Journal of Molecular Structure published new progress about Band gap. 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, SDS of cas: 100-70-9.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Luc, Nhu-Quynh’s team published research in Materials Science in Semiconductor Processing in 2020-07-31 | CAS: 91-15-6

Materials Science in Semiconductor Processing published new progress about Band gap. 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, SDS of cas: 91-15-6.

Luc, Nhu-Quynh published the artcileDensity Function Theory calculation, and phthalonitrile process for a synthesis of single crystal zinc phthalocyanine, SDS of cas: 91-15-6, the main research area is single crystal zinc phthalocyanine phthalonitrile density function theory.

This study aims to synthesize the β-phase single crystal of zinc phthalocyanine (ZnPc) by using phthalonitrile process and vapor deposition. The single-crystal X-ray diffraction was used to identify the mol. structure and lattice parameters of the synthesized material. The mol. structure, frontier MOs, and IR spectroscopy of ZnPc were investigated through Time Dependent (TD)-D. Function Theory (DFT) calculations that is compared with exptl. results. For the solid-state simulation, the exptl. crystallog. data was used to determine band structure and d. of state using DFT method on Quantum Espresso. The β-phase monoclinic single crystal of ZnPc is as a direct band gap semiconductor with the calculated energy gap of 2.1 eV, and the Fermi energy level of 2.61 eV.

Materials Science in Semiconductor Processing published new progress about Band gap. 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, SDS of cas: 91-15-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Manning, Trevor W.’s team published research in Chemical Research in Toxicology in 2020-02-17 | CAS: 1885-29-6

Chemical Research in Toxicology published new progress about Azo dyes. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Recommanded Product: 2-Aminobenzonitrile(Flakes or Chunks).

Manning, Trevor W. published the artcileStructure of an unusual tetracyclic deoxyguanosine adduct: Implications for frameshift mutagenicity of ortho-cyano nitroanilines, Recommanded Product: 2-Aminobenzonitrile(Flakes or Chunks), the main research area is structure tetracyclic deoxyguanosine adduct frameshift mutagenicity orthocyanonitroaniline.

Nitroarom. compounds represent a major class of industrial chems. that are also found in nature. Polycyclic derivatives are regarded as potent mutagens and carcinogens following bioactivation to produce nitrenium electrophiles that covalently modify DNA to afford N-linked C8-2′-deoxyguanosine (C8-dG) lesions that can induce frameshift mutations, especially in CpG repeat sequences. In contrast, their monocyclic counterparts typically exhibit weak mutagenicity or a lack thereof, despite also undergoing bioactivation to afford N-linked C8-dG adducts. Recently, it has been reported that cyano substitution can greatly increase the mutagenicity of nitroaniline derivatives that are components of azo dyes. The basis of this “”cyano effect”” may be rooted in the formation of a novel polycyclic adduct arising from initial formation of the N-linked C8-dG adduct followed by a cyclization process involving N7 of dG and the ortho-CN group of the attached C8-aryl moiety to generate a quinazolinimine ring as part of a fused tetracyclic C8,N7-dG adduct structure. The present work structurally characterizes this novel cyclic adduct using a combination of optical spectroscopies, NMR anal., d. functional theory (DFT) calculations, and mol. dynamics (MD) simulations. Our data indicate that this highly fluorescent cyclic adduct adopts the promutagenic syn conformation and can stabilize the slipped mutagenic intermediate (SMI) within the CpG repeat of the NarI sequence, which is a hotspot for frameshift mutagenesis mediated by polycyclic N-linked C8-dG adducts. In contrast, the open para-CN (4-aminobenzontrile-derived) N-linked C8-dG adduct is less likely to disrupt the canonical B-form. Together, our results provide a rationale for the potent mutagenicity of cyano-substituted nitroaniline derivatives recently reported in frameshift-sensitive tester strains.

Chemical Research in Toxicology published new progress about Azo dyes. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Recommanded Product: 2-Aminobenzonitrile(Flakes or Chunks).

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts