nitriles-buliding-blocks Archives - Page 70 of 1091

Mangaonkar, Saeesh R. et al. published their research in Synthesis in 2019 | CAS: 55490-87-4

2-(Anthracen-9-ylmethylene)malononitrile (cas: 55490-87-4) belongs to nitriles. There has been no report on the microbial biosynthesis of nitriles and the physiological function of such enzymes, nor was it not even known whether aliphatic and aromatic nitriles are biological compounds or just petrochemicals. In conventional organic reductions, nitrile is reduced by treatment with lithium aluminium hydride to the amine. Reduction to the imine followed by hydrolysis to the aldehyde takes place in the Stephen aldehyde synthesis, which uses stannous chloride in acid.Computed Properties of C18H10N2

Hypervalent Iodine(III)-Catalyzed Epoxidation of β-Cyanostyrenes was written by Mangaonkar, Saeesh R.;Singh, Fateh V.. And the article was included in Synthesis in 2019.Computed Properties of C18H10N2 This article mentions the following:

A convenient approach for the synthesis of β-cyanoepoxides is illustrated by iodine(III)-catalyzed epoxidation of electron-deficient β-cyanostyrenes, wherein the active catalytic iodine(III) species was generated in situ. The epoxidation of β-cyanostyrenes was performed using 10 mol% PhI as precatalyst in the presence of 2.0 equiv oxone as an oxidant and 2.4 equiv of TFA as an additive at room temperature under ultrasonic radiations. The β-cyanoepoxides were isolated in good to excellent yields in a short reaction time. In the experiment, the researchers used many compounds, for example, 2-(Anthracen-9-ylmethylene)malononitrile (cas: 55490-87-4Computed Properties of C18H10N2).

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Zengin, Nursefa et al. published their research in Scientific Reports in 2020 | CAS: 55490-87-4

2-(Anthracen-9-ylmethylene)malononitrile (cas: 55490-87-4) 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.Name: 2-(Anthracen-9-ylmethylene)malononitrile

Synthesis of benzylidenemalononitrile by Knoevenagel condensation through monodisperse carbon nanotube-based NiCu nanohybrids was written by Zengin, Nursefa;Burhan, Hakan;Savk, Aysun;Goksu, Haydar;Sen, Fatih. And the article was included in Scientific Reports in 2020.Name: 2-(Anthracen-9-ylmethylene)malononitrile This article mentions the following:

Monodisperse nickel/copper nanohybrids (NiCu@MWCNT) based on multi-walled carbon nanotubes (MWCNT) were prepared for the Knoevenagel condensation of aryl and aliphatic aldehydes. The synthesis of these nanohybrids was carried out by the ultrasonic hydroxide assisted reduction method. NiCu@MWCNT nanohybrids were characterized by anal. techniques such as X-ray diffraction (XRD), XPS, transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HR-TEM), and Raman spectroscopy. According to characterization results, NiCu@MWCNT showed that these nanohybrids form highly uniform, crystalline, monodisperse, colloidally stable NiCu@MWCNT nanohybrids were successfully synthesized. Thereafter, a model reaction was carried out to obtain benzylidenemalononitrile derivatives using NiCu@MWCNT as a catalyst, and showed high catalytic performance under mild conditions over 10-180 min. In the experiment, the researchers used many compounds, for example, 2-(Anthracen-9-ylmethylene)malononitrile (cas: 55490-87-4Name: 2-(Anthracen-9-ylmethylene)malononitrile).

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Prabhu, Pradnya J. et al. published their research in International Journal of Chemistry (Mumbai, India) in 2013 | CAS: 58168-20-0

Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate (cas: 58168-20-0) belongs to nitriles. The electronic structure of nitriles is very similar to that of an alkyne with the main difference being the presence of a set of lone pair electrons on the nitrogen. 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.Safety of Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate

Synthesis, reactions, and antimicrobial activity of some fused thieno[2,3-d]yrimidine derivatives was written by Prabhu, Pradnya J.;Khombare, Rajiv T.;Kadam, Mangesh D.. And the article was included in International Journal of Chemistry (Mumbai, India) in 2013.Safety of Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate This article mentions the following:

Novel thieno[2,3-d]pyrimidines, 4-imino-pyrimidin-3-ylamine and pyrimidon-4-ylhydrazine derivatives were prepared starting from ethyl-5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate and 5-amino-4-cyano-3-methyl-thiophene-2-carboxylic acid Et ester. The antimicrobial evaluation of the synthesized compounds showed that many of them revealed promising antimicrobial activity. In the experiment, the researchers used many compounds, for example, Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate (cas: 58168-20-0Safety of Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate).

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Macovski, Eugen et al. published their research in Bulletin de la Section Scientifique de l’ Academie Roumaine in 1946 | CAS: 64113-86-6

5-Methyl-2-nitrobenzonitrile (cas: 64113-86-6) belongs to nitriles. There has been no report on the microbial biosynthesis of nitriles and the physiological function of such enzymes, nor was it not even known whether aliphatic and aromatic nitriles are biological compounds or just petrochemicals. Alkyl nitriles are sufficiently acidic to undergo deprotonation of the C-H bond adjacent to the CN group.Strong bases are required, such as lithium diisopropylamide and butyl lithium. The product is referred to as a nitrile anion. HPLC of Formula: 64113-86-6

Condensation of 3-methyl-6-nitrobenzonitrile and 3-methyl-6-nitrobenzamide with benzaldehyde was written by Macovski, Eugen;Georgescu, Julia. And the article was included in Bulletin de la Section Scientifique de l’ Academie Roumaine in 1946.HPLC of Formula: 64113-86-6 This article mentions the following:

Nitration of m-MeC₆H₄CN gives a mixture of 3-methyl-6-nitrobenzonitrile (I), m. 92°, and isomeric nitro compounds removable by steam distillation The distillate with KOH-H₂O₂ gives 3-methyl-2-nitrobenzamide (II), m. 192°, and 3-methyl-5-nitrobenzamide (III), m. 166°. Heating II with BzH 2 hrs. at 160° gives N,N’-benzylidenebis(3-methyl-2-nitrobenzamide), m. 243°; III gives N,N’-benzylidenebis(3-methyl-5-nitrobenzamide), m. 235-7°. I with KOH-H₂O₂ gives 3-methyl-6-nitrobenzamide (IV), m. 176-7°, not hydrolyzed by alc. NaOMe at 37°. BzH converts IV into N,N’-benzylidenebis(3-methyl-6-nitrobenzamide), m. 263°. IV with BzH in the presence of piperidine at 160° gives 3-carbamyl-4-nitrostilbene (V), m. 241°; hydrolysis of 3-cyano-4-nitrostilbene by KOH-H₂O₂ and condensation of IV with BzH in the presence of NaOEt at 37° also give V. In the experiment, the researchers used many compounds, for example, 5-Methyl-2-nitrobenzonitrile (cas: 64113-86-6HPLC of Formula: 64113-86-6).

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Zhou, Peng et al. published their research in Applied Catalysis, B: Environmental in 2017 | CAS: 10282-32-3

4-(Benzylamino)benzonitrile (cas: 10282-32-3) belongs to nitriles. Nitrile function is a very important functional group because it can be manipulated to other functional groups such as carboxylic acid by hydrolysis or amine by reduction, respectively. 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.Electric Literature of C14H12N2

A versatile cobalt catalyst for the reductive amination of carbonyl compounds with nitro compounds by transfer hydrogenation was written by Zhou, Peng;Zhang, Zehui;Jiang, Liang;Yu, Changlin;Lv, Kangle;Sun, Jie;Wang, Shuguo. And the article was included in Applied Catalysis, B: Environmental in 2017.Electric Literature of C14H12N2 This article mentions the following:

Co nanoparticles embedded in mesoporous nitrogen-doped carbon (abbreviated as Co@CN-800) were prepared and found to be resistant to acid. The Co@CN-800 catalyst was active and selective for the one-pot reductive amination of carbonyl compounds with nitro compounds by transfer hydrogenation with formic acid as the hydrogen donor, affording the corresponding secondary amines with excellent yields (89.6-99%). Both nitrogen atoms and Co nanoparticles were of great importance in the one-pot reductive amination over the Co@CN-800 catalyst by formic acid, and the protic N-H⁺ and hydridic Co-H^– were proposed to be the active species for the transfer hydrogenation reactions. Furthermore, the Co@CN-800 catalyst was highly stable without loss of its activity. In the experiment, the researchers used many compounds, for example, 4-(Benzylamino)benzonitrile (cas: 10282-32-3Electric Literature of C14H12N2).

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Cai, Xue’s team published research in Journal of Materials Science: Materials in Electronics in 2019-02-28 | CAS: 91-15-6

Journal of Materials Science: Materials in Electronics published new progress about Analysis. 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, Application of Phthalonitrile.

Cai, Xue published the artcileDimeric phthalocyanine-involved double-decker complex-based electrochemical sensor for simultaneous detection of acetaminophen and ascorbic acid, Application of Phthalonitrile, the main research area is acetaminophen ascorbic acid phthalocyanine double decker complex electrochem sensor.

An electrochem.sensor for simultaneous detection of acetaminophen (APAP) and ascorbic acid (AA) is firstly developed by using the self-assembled film of a novel dimeric bis(phthalocyaninato) europium complex, [{Pc(SC2H5)8}Eu{BiPc(SC2H5)12}Eu{Pc(SC2H5)8}] (1) coated onto ITO (fim-1/ITO) fabricated through a solution-processing quasi-LangmuirShafer (QLS) protocol. A combination of unique sandwich mol.structure with extented π-conjugated system and J-type aggregates with quite uniform nanograins (ca.15 nm) formed on ITO substrate render the film of 1 the excellent charge transfer ability and abundant electroactive sites, resulting in sensitive detection of APAP and AA with the good sensitivities of 254 and 85.6 mA μM-1 cm-2 and low detection limits of 1.3 and 3.7 μM for APAP and AA resp. More importantly, a simultaneous determinationof APAP and AA at a coexisting system of APAP and AA is also achieved with the still good sensitivities of 317 and 64.7 mA μM-1 cm-2, and low detection limits of 1.0 and 4.9 μM for APAP and AA resp. This work represents the first example of tetrapyrrole-based organicsemiconductor electrochem.sensor for simultaneous detection of APAP and AA with excellent sensing performance, implying the great application potential of electroactive sandwich rare earth tetrapyrrole compoundsin the nonenzymic electrochem.sensors.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Zhao, Yun-Xiu’s team published research in International Biodeterioration & Biodegradation in 2019-11-30 | CAS: 100-70-9

International Biodeterioration & Biodegradation published new progress about Aquation. 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, Recommanded Product: Picolinonitrile.

Zhao, Yun-Xiu published the artcileNeonicotinoid thiacloprid transformation by the N2-fixing bacterium Microvirga flocculans CGMCC 1.16731 and toxicity of the amide metabolite, Recommanded Product: Picolinonitrile, the main research area is Microvirga Daphnia neonicotinoid thiacloprid transformation amide metabolite toxicity.

Thiacloprid is a widely-used neonicotinoid insecticide, but its enzymic conversion and the toxicity of the amide metabolite are poorly understood. Here, a N2-fixing bacterium, Microvirga flocculans CGMCC 1.16731, was reported to metabolize thiacloprid via hydration and hydroxylation to thiacloprid amide and 4-hydroxy thiacloprid resp. M. flocculans transformed 90.5% of 0.63 mmol/L thiacloprid in 30 h with a half-life of 9.0 h. In soil, the bacterium transformed 92.4% of 80 μmol/kg soil thiacloprid in 9 d. A cobalt-type nitrile hydratase (NHase) composed of an α-subunit (TnhA) and a β-subunit (TnhB) converted thiacloprid to thiacloprid amide. Co-expression of activator (TnhC) with NHase could improve the TnhA solubility and therefore enhanced 4-folds higher NHase activity. The NHase produced recombinantly in Escherichia coli transformed 97% of 0.76 mmol/L thiacloprid in 10 min. M. flocculans NHase had a Km value of 0.63 mmol/L and Vmax of 10.2 μmol/min/mg toward thiacloprid. Thiacloprid amide has higher toxic effect on growth of M. flocculans than thiacloprid, whereas lower toxic on the aquatic invertebrate Daphnia magna. Both thiacloprid and thiacloprid amide inhibited tnhA transcription. This increases our understanding of the enzymic mechanism of environmental fate of thiacloprid and toxicity of its amide metabolite toward soil microbes and aquatic organisms.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

V., Bhavadhaarani’s team published research in International Journal of Phytoremediation in 2021 | CAS: 5653-62-3

International Journal of Phytoremediation published new progress about Azo dyes. 5653-62-3 belongs to class nitriles-buliding-blocks, name is 2,3-Dimethoxybenzonitrile, and the molecular formula is C9H9NO2, Recommanded Product: 2,3-Dimethoxybenzonitrile.

V., Bhavadhaarani published the artcileCombined treatment of synthetic textile effluent using mixed azo dye by phyto and phycoremediation, Recommanded Product: 2,3-Dimethoxybenzonitrile, the main research area is azo dye textile effluent phytoremediation bioadsorptive wastewater treatment; Phycoremediation; phytoremediation; textile effluent.

Phytoremediation is one of the biol. approaches for remediating textile dyeing effluents. The objective of this study is the use of Pistia stratiotes, an aquatic macrophyte, which was found to degrade the maximum of 83% of mixed azo dye. A phytoreactor was designed and constructed to scale up the process of phytoremediation by P. stratiotes to treat 40mg/l of synthetic textile effluent. Continuous flow phytoreactor fed with 40mg/l (cycle 1) which showed maximum decolorization of 84%, COD removal was about 61%, BOD which was reduced up to 71.9%, and TDS removal was about 72% resp. Further to remove the residual color and toxic effects of the dyes, Phycoremediation was followed for the mixed azo dyes using the microalgae Chlorella vulgaris which showed a maximum decolorization of 99% in the batch study and 74% in the scale-up study where the treated effluent was at the most minimal discharge. Phytotoxicity tests showed 80% of germination in treated effluent, and the plants in untreated wastewater had inhibited growth that indicates only 30% of germination. Such combined biol. treatment techniques were put forward to be the most eco-friendly technol., which is cost-effective and attain zero discharge of the textile effluent.

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.

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.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts