Month: December 2022

Li, Pengyu published the artcileCopper(II)-Schiff Base Complex-Functionalized Polyacrylonitrile Fiber as a Green Efficient Heterogeneous Catalyst for One-Pot Multicomponent Syntheses of 1,2,3-Triazoles and Propargylamines, Name: 2-(Chloromethyl)benzonitrile, the publication is Advanced Synthesis & Catalysis (2018), 360(8), 1673-1684, database is CAplus.

A series of copper(II)-Schiff bases-functionalized polyacrylonitrile fiber catalysts was successfully prepared using copper acetate as copper source and characterized by elemental anal., Fourier-transfer IR spectroscopy, UV-visible spectroscopy, XPS and inductively coupled plasma anal. Excellent phys. strength and thermal stability of the fiber catalysts were demonstrated by SEM, X-ray diffraction, thermogravimetric/differential scanning calorimetry anal. and mech. strength measurements. Furthermore, these catalysts were successfully applied to one-pot multicomponent copper-catalyzed azide-alkyne cycloaddition (CuAAC) reaction and aldehyde, alkyne, amine (A3) coupling reaction in which the influence of different substituent groups on the catalytic activities of fiber catalysts were investigated in detail. Among them, the bis[N-ethyl-3,5-di-tert-butyl-salicylideneiminato]copper(II)-functionalized polyacrylonitrile fiber (PANS₂F-Cu) as a green, efficient catalyst exhibited the best catalytic activity as its high hydrophobic micro-environment could aggregate the reactants to the catalytic sites and accelerate the reaction. In addition, the PAN_S2F-Cu performed well in scaled-up experiment and showed excellent recyclability (at least ten times), and these characteristics enabled it to have great potential for further applications.

Advanced Synthesis & Catalysis published new progress about 612-13-5. 612-13-5 belongs to nitriles-buliding-blocks, auxiliary class Organic Pigment, name is 2-(Chloromethyl)benzonitrile, and the molecular formula is C8H6ClN, Name: 2-(Chloromethyl)benzonitrile.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts

Xia, Dao-Cheng published the artcileCrystal structure of bis([3,2-c]isoquinolin-5-amine)benzofuro[6,5-b]furancadmium(II) dichloride, Cd(C₂₄H₁₄N₄O₂)Cl₂, COA of Formula: C8H6ClN, the publication is Zeitschrift fuer Kristallographie – New Crystal Structures (2010), 225(3), 563-564, database is CAplus.

Crystal data: monoclinic, C2/c, a = 15.9926(9), b = 10.2755(4), c = 12.5031(5) Å, β = 94.725(4)°, Z = 4, 1500 observed reflections with I > 2(I), 150 refined parameters, R_gt(F) = 0.030, wR_ref(F²) = 0.055. At. coordinates are given. The structure is discussed.

Zeitschrift fuer Kristallographie – New Crystal Structures published new progress about 612-13-5. 612-13-5 belongs to nitriles-buliding-blocks, auxiliary class Organic Pigment, name is 2-(Chloromethyl)benzonitrile, and the molecular formula is C24H26ClNO4, COA of Formula: C8H6ClN.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts

Shie, Jiun-Jie published the artcileAn Azido-BODIPY Probe for Glycosylation: Initiation of Strong Fluorescence upon Triazole Formation, Quality Control of 26187-28-0, the publication is Journal of the American Chemical Society (2014), 136(28), 9953-9961, database is CAplus and MEDLINE.

The authors have designed a low fluorescent azido-BODIPY-based probe AzBOCEt (Az10) that undergoes copper(I)-catalyzed 1,3-dipolar cycloadditions with alkynes to yield strongly fluorescent triazole derivatives The fluorescent quantum yield of a triazole product T10 is enhanced by 52-fold as compared to AzBOCEt upon excitation at a wavelength >500 nm. Quantum mech. calculations indicate that the increase in fluorescence upon triazole formation is due to the lowering of the HOMO energy level of the aryl moiety to reduce the process of acceptor photoinduced electron transfer. AzBOCEt is shown to label alkyne-functionalized proteins in vitro and glycoproteins in cells with excellent selectivity, and enables cell imaging and visualization of glycoconjugates in alkynyl-saccharide-treated cells at extremely low concentration (0.1 μM). Furthermore, the alkyne-tagged glycoproteins from cell lysates can be directly detected with AzBOCEt in gel electrophoresis.

Journal of the American Chemical Society published new progress about 26187-28-0. 26187-28-0 belongs to nitriles-buliding-blocks, auxiliary class Pyrrole,Nitrile, name is 2,4-Dimethyl-1H-pyrrole-3-carbonitrile, and the molecular formula is C8H6ClF3, Quality Control of 26187-28-0.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts

Lin, Yongqiang published the artcileSynthesis and anti-HIV evaluation of novel 1,3-disubstituted thieno[3,2-c][1,2,6]thiadiazin-4(3H)-one 2,2-dioxides(TTDDs), Name: 2-(Chloromethyl)benzonitrile, the publication is Bioorganic & Medicinal Chemistry (2008), 16(1), 157-163, database is CAplus and MEDLINE.

A series of novel 1,3-disubstituted thieno[3,2-c] [1,2,6]thiadiazin-4(3H)-one 2,2-dioxides (TTDDs), designed as nonnucleoside reverse transcriptase inhibitors (NNRTIs), was synthesized, structurally confirmed by spectral anal. and evaluated for their anti-HIV-1 activities by inhibition of HIV-1(IIIB)-induced cytopathogenicity in MT-4 cell culture. The structure-activity relationship studies showed marked potency of TTDD analogs as anti-HIV-1 agents. The most active and selective compound (I) had EC₅₀ of 4.0 μM and a selectivity index (SI) of >76. The structure-activity relationship (SAR) is discussed.

Bioorganic & Medicinal Chemistry published new progress about 612-13-5. 612-13-5 belongs to nitriles-buliding-blocks, auxiliary class Organic Pigment, name is 2-(Chloromethyl)benzonitrile, and the molecular formula is C8H6ClN, Name: 2-(Chloromethyl)benzonitrile.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts

Gu, Zhun published the artcileSynthesis and characterization of o-cyano-DL-phenylalanine hydrochloride, SDS of cas: 612-13-5, the publication is Huaxue Yanjiu Yu Yingyong (2008), 20(7), 866-868, database is CAplus.

A method for the synthesis of the title compound [i.e., 2-cyano-DL-phenylalanine hydrochloride] is reported here. A non-natural amino acid, o-cyano-D,L-phenylalanine hydrochloride, and its four intermediates were synthesized using di-Et malonate as starting material. Factors influencing the reaction were studied, the processing methods were improved and the yield of each reaction was increased. The structures of the compounds mentioned above were determined by IR, NMR, elementary anal. and m.p.

Huaxue Yanjiu Yu Yingyong published new progress about 612-13-5. 612-13-5 belongs to nitriles-buliding-blocks, auxiliary class Organic Pigment, name is 2-(Chloromethyl)benzonitrile, and the molecular formula is C8H6ClN, SDS of cas: 612-13-5.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts

Dai, Jian-Jun published the artcilePd-catalyzed decarboxylative Suzuki reactions and orthogonal Cu-based O-arylation of aromatic carboxylic acids, Name: 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile, the publication is Chemical Communications (Cambridge, United Kingdom) (2011), 47(2), 677-679, database is CAplus and MEDLINE.

Pd-catalyzed decarboxylative Suzuki reactions and orthogonal Cu-based O-arylation reactions of aromatic carboxylic acids are reported. The new reactions may provide alternative routes for the synthesis of some biaryls and aromatic carboxylic esters.

Chemical Communications (Cambridge, United Kingdom) published new progress about 214360-44-8. 214360-44-8 belongs to nitriles-buliding-blocks, auxiliary class Nitrile,Boronic acid and ester,Benzene,Boronic Acids,Boronic acid and ester, name is 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile, and the molecular formula is C12H14BNO2, Name: 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts

Xing, Yang-Yang published the artcileA Computational Mechanistic Study of Pd(II)-Catalyzed Enantioselective C(sp³)-H Borylation: Roles of APAO Ligands, Computed Properties of 68569-14-2, the publication is Journal of Organic Chemistry (2019), 84(17), 10690-10700, database is CAplus and MEDLINE.

A computational mechanistic study has been performed on Pd(II)-catalyzed enantioselective reactions involving acetyl-protected aminomethyl oxazolines (APAO) ligands that significantly improved reactivity and selectivity in C(sp³)-H borylation. The results support a mechanism including initiation of C(sp³)-H bond activation generating a five-membered palladacycle and ligand exchange, followed by HPO₄^2--promoted transmetalation. These resulting Pd(II) complexes further undergo sequential reductive elimination by coordination of APAO ligands and protonation to afford the enantiomeric products and deliver Pd(0) complexes, which will then proceed by oxidation and deprotonation to regenerate the catalyst. The C(sp³)-H activation is found to be the rate- and enantioselectivity-determining step, in which the APAO ligand acts as the proton acceptor to form the two enantioselectivity models. The results demonstrate that the diverse APAO ligands control the enantioselectivity by differentiating the distortion and interaction between the major and minor pathways.

Journal of Organic Chemistry published new progress about 68569-14-2. 68569-14-2 belongs to nitriles-buliding-blocks, auxiliary class Palladium, name is Tetrakis(acetonitrile)palladium(II) Ditriflate, and the molecular formula is C7H7IN2O, Computed Properties of 68569-14-2.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts

Pan, Nianjuan published the artcileNovel pyrimidine derivatives bearing a 1,3,4-thiadiazole skeleton: design, synthesis, and antifungal activity, Application of 2-(Chloromethyl)benzonitrile, the publication is Frontiers in Chemistry (Lausanne, Switzerland) (2022), 922813, database is CAplus and MEDLINE.

In this study, twenty novel pyrimidine derivatives bearing a 1,3,4-thiadiazole skeleton were designed and synthesized. Then their antifungal activity against Botrytis cinereal (B. cinereal), Botryosphaeria dothidea (B. dothidea), and Phomopsis sp. were determined using the poison plate technique. Biol. test results showed that I revealed lower EC₅₀ values (25.9 and 50.8μg/mL) on Phompsis sp. than those of pyrimethanil (32.1 and 62.8μg/mL).

Frontiers in Chemistry (Lausanne, Switzerland) published new progress about 612-13-5. 612-13-5 belongs to nitriles-buliding-blocks, auxiliary class Organic Pigment, name is 2-(Chloromethyl)benzonitrile, and the molecular formula is C8H6ClN, Application of 2-(Chloromethyl)benzonitrile.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts

Li, Zhi-Long published the artcileOrganocatalytic, asymmetric [2+2+2] annulation to construct six-membered spirocyclic oxindoles with six continuous stereogenic centers, Formula: C9H6N2O2, the publication is Catalysts (2016), 6(5), 65/1-65/14, database is CAplus.

Lactols and cyclic hemiaminals were directly used in a one-pot organo/organo dual catalytic system induced [2+2+2] tandem reaction for the asym. construction of six-membered carbocycles. The enamine-based stereoselective Michael addition of lactols or cyclic hemiaminals to electron-deficient olefinic oxindole motifs provided chiral C4 components, which were further combined with triethylamine catalyzed Michael/H sequential reactions affording spirocyclic oxindole derivatives containing six continuous stereogenic centers with excellent enantioselectivities as a single diastereoisomer. All these desired products have versatile mol. complexity, which might have potential applications in synthetic organic chem. and the pharmaceutical industry.

Catalysts published new progress about 5153-73-1. 5153-73-1 belongs to nitriles-buliding-blocks, auxiliary class Nitrile,Alkenyl,Nitro Compound,Benzene, name is (E)-4-(2-Nitrovinyl)benzonitrile, and the molecular formula is C9H6N2O2, Formula: C9H6N2O2.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts

Zhou, Enshan published the artcileBINOL-quinine-squaramides as efficient organocatalysts for the asymmetric Michael addition of 2-hydroxy-1,4-naphthoquinone to nitroalkenes, Recommanded Product: (E)-4-(2-Nitrovinyl)benzonitrile, the publication is Tetrahedron: Asymmetry (2014), 25(2), 181-186, database is CAplus.

A set of BINOL-quinine-squaramides were synthesized, and then used as organocatalysts to promote the catalytic enantioselective Michael addition reaction of 2-hydroxy-1,4-naphthoquinone to nitroalkenes with excellent yields and ees (up to 99% yield and 93% ee) at low catalyst loading (0.5 mol %).

Tetrahedron: Asymmetry published new progress about 5153-73-1. 5153-73-1 belongs to nitriles-buliding-blocks, auxiliary class Nitrile,Alkenyl,Nitro Compound,Benzene, name is (E)-4-(2-Nitrovinyl)benzonitrile, and the molecular formula is C15H24S, Recommanded Product: (E)-4-(2-Nitrovinyl)benzonitrile.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts