Category: 1885-29-6

Song, Zehua published the artcileInnate pharmacophore assisted selective C-H functionalization to therapeutically important nicotinamides, HPLC of Formula: 1885-29-6, the main research area is amino nicotinamide preparation regioselective; amine nicotinamide carbon hydrogen amination; aryloxy nicotinamide preparation regioselective; nicotinamide phenol carbon hydrogen etherification.

The application of the pre-validated pharmacophore 2-(2-oxazolinyl)anilines (R)/(S)-I (R = H, Me, Et, benzyl) as an innate directing group in the C-H etherification and amination of nicotinamides II for the efficient synthesis of drug- and agrochem.-like mols. was determined An operationally simple, and regioselective C-H functionalization of nicotinamides (R)/(S)-II was first accomplished using a complicated variation of copper salts. All the specific procedures used were easy to utilize, without external oxidants or ligands. The feasibility is highlighted using an alternative synthesis of diflufenican with a rapid synthesis of niacin related pharmaceuticals or analogs III (R1 = H, 3-CH3OC6H4O, 2-methoxy-4-(prop-2-en-1-yl)phenyl, 4-methylpiperidin-1-yl, etc.; R2 = H, 2-methoxy-4-(prop-2-en-1-yl)phenyl, 3-methylpiperidin-1-yl, etc.).

Organic Chemistry Frontiers published new progress about Amination catalysts (regioselective). 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, HPLC of Formula: 1885-29-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Kaur Gulati, Harmandeep published the artcileDesign, Synthesis, biological investigations and molecular interactions of triazole linked tacrine glycoconjugates as Acetylcholinesterase inhibitors with reduced hepatotoxicity, Category: nitriles-buliding-blocks, the main research area is click alkyne azide triazole cycloaddition catalyst human HePG2 aminoglycoside; triazole glycoconjugate acetylcholinesterase inhibitor hepatotoxicity; mol dynamics tacrine glycoconjugate acetylcholinesterase inhibitor alzheimer docking; Enzyme Kinetics; Glyco-conjugates; Hepatotoxicity; Molecular docking; Molecular dynamics.

Tacrine is a known Acetylcholinesterase (AChE) inhibitors having hepatotoxicity as main liability associated with it. The present study aims to reduce its hepatotoxicity by synthesizing tacrine linked triazole glycoconjugates via Huisgen’s [3 + 2] cycloaddition of anomeric azides and terminal acetylenes derived from tacrine. A series of triazole based glycoconjugates containing both acetylated, e.g. I, and free sugar hydroxyl groups at the amino position of tacrine were synthesized in good yield taking aid from mol. docking studies and evaluated for their in vitro AChE inhibition activity as well as hepatotoxicity. All the hybrids were found to be non-toxic on HePG2 cell line at 200μM (100% cell viability) as compared to tacrine (35% cell viability) after 24 h of incubation period. Enzyme kinetic studies carried out for one of the potent hybrids in the series I (IC50 0.4μM) revealed its mixed inhibition approach. Thus, compound I can be used as principle template to further explore the mechanism of action of different targets involved in Alzheimer’s disease (AD) which stands as an adequate chem. probe to be launched in an AD drug discovery program.

Bioorganic Chemistry published new progress about 1,3-Dipolar cycloaddition reaction. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Category: nitriles-buliding-blocks.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Shakeel-u-Rehman published the artcileClick chemistry inspired facile synthesis and bio-evaluation of novel triazolyl analogs of D-(+)-pinitol, Recommanded Product: 2-Aminobenzonitrile(Flakes or Chunks), the main research area is structure activity enzyme inhibiting antitumor inositol triazole preparation human; click cycloaddition alkyne azide glucosidase inhibitory triazole inositol preparation; glucosidase inhibitory alkyne azide cycloaddition triazole cyclitol antitumor preparation.

Cu(I)-catalyzed alkyne-azide cycloaddition was carried out for the preparation of novel 1,4-disubstituted 1,2,3-triazoles of D-(+)-pinitol. All the analogs were screened for cytotoxicity against promyelocytic leukemia (HL-60), colorectal carcinoma (HCT 116) and pancreatic carcinoma (Mia-Paca-2) cancer cell lines using 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) cytotoxicity assay. Compounds, e.g. I, showed the best activity with IC50 of 19.2, 17.5 and 16.4μM against leukemia (HL-60), colorectal carcinoma (HCT 116) and pancreatic carcinoma (Mia-Paca-2) cell lines resp. All the triazolyl analogs were further evaluated for β-glucosidase inhibitory activity, wherein, the deprotected derivatives, e.g. II, showed better activity with IC50 of 148.5, 139.2 and 142.4μM resp. The structure activity relationship (SAR) studies revealed that the analogs with bromo, nitro or Me groups (substituted Ph moiety attached to 1,2,3-triazole) moiety exhibited better cytotoxicity, while as, the analogs with N-substituted long chain aliphatic hydrocarbon R moieties displayed effective β-glucosidase inhibition.

Arabian Journal of Chemistry published new progress about 1,3-Dipolar cycloaddition reaction. 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

Li, Qiang-Qiang published the artcileSynthesis of π-Extended Imidazoles by 1,3-Dipolar Cycloaddition of Polycyclic Aromatic Azomethine Ylides with Nitriles, SDS of cas: 1885-29-6, the main research area is polycyclic aromatic azomethine ylide nitrile dipolar cycloaddition reaction; tertbutyl aryl tribenzoimidazoquinolizine preparation; aryl tertbutyl tribenzoimidazoquinolizine palladium catalyst cyclization; diazadibenzocyclopentapentaphene preparation UV fluorescence.

Dipolar cycloaddition of polycyclic aromatic azomethine ylides with nitriles to produce highly fused imidazole derivatives, i.e., tribenzo[b,g,ij]imidazo[2,1,5-de]quinolizine was reported. The advantages of this transformation were the broad substrate scope and the good functional group compatibility. The subsequent palladium-catalyzed intramol. cyclization provided an efficient approach to further π-extended imidazoles, i.e., 14b1,15-diazadibenzo[fg,ij]cyclopenta[rst]pentaphene.

Organic Letters published new progress about 1,3-Dipolar cycloaddition reaction. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, SDS of cas: 1885-29-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Wolinska, Ewa published the artcileSynthesis and structures of three new pyridine-containing oxazoline ligands of complexes for asymmetric catalysis, Recommanded Product: 2-Aminobenzonitrile(Flakes or Chunks), the main research area is pyridine oxazoline ligand crystal structure asym catalysis; DFT calculations; Hirshfeld surface analysis; asymmetric catalysis; crystal structure; oxazoline ligand.

Three new chiral pyridine-containing oxazoline derivatives with fluorine and perfluoromethyl groups, namely, 2-({2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl}amino)-5-(trifluoromethyl)pyridine, C21H16F3N3O, 2-({5-fluoro-2-[(4S)-4-isopropyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl}amino)-5-(trifluoromethyl)pyridine, C18H17F4N3O, and 2-({2-[(3aR,8aS)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl]phenyl}amino)-5-(trifluoromethyl)pyridine, C22H16F3N3O, as chiral ligands in metal-catalyzed asym. reactions, were synthesized and characterized by spectral and X-ray diffraction methods. The conformation of the mols. is influenced by strong N-H···N hydrogen bonding and weak C-H···X (X = O and N) interactions. There are no intermol. hydrogen bonds in the crystal structures of the analyzed compounds Hirshfeld surface anal. showed that the H···H contacts constitute a high percentage of the intermol. interactions. The conformational anal. was performed by theor. calculations using the d. functional theory (DFT) method. The mechanism of complex formation in terms of the electron-withdrawing effect of the substituents on the oxazoline ring and the ligand conformation is discussed.

Acta Crystallographica, Section C: Structural Chemistry published new progress about Addition reaction catalysts, stereoselective. 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

Han, Dongyang published the artcileNickel-Catalyzed Amination of (Hetero)aryl Halides Facilitated by a Catalytic Pyridinium Additive, Application of 2-Aminobenzonitrile(Flakes or Chunks), the main research area is aryl halide amine amination coupling nickel catalyst regioselective chemoselective; C−N coupling; amination; anilines; aryl halides; nickel catalysis.

An efficient and operationally simple Ni-catalyzed amination protocol has been developed. This methodol. features a simple NiII salt, an organic base and catalytic amounts of both a pyridinium additive and Zn metal. A diverse number of (hetero)aryl halides RX (R = 4-methanesulfonylphenyl, 3-cyanopyridin-2-yl, 1,3-benzoxazol-2-yl, etc.; X = Br, Cl) were coupled successfully with primary and secondary alkyl amines and anilines such as cyclohexanamine, pyrrolidine, 4-methylaniline, etc. in good to excellent yields RR1 [R1 = cyclohexylaminyl, pyrrolidin-1-yl, (4-methylphenyl)aminyl, etc.]. Similarly, benzophenone imine gave the corresponding N-arylation product N-(4-(methylsulfonyl)phenyl)-1,1-diphenylmethanimine in an excellent yield.

Chemistry – A European Journal published new progress about Amination catalysts (regio-, chemoselective). 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Application of 2-Aminobenzonitrile(Flakes or Chunks).

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Karmakar, Ujjwal published the artcilePhotocatalytic para-Selective C-H Functionalization of Anilines with Diazomalonates, Application of 2-Aminobenzonitrile(Flakes or Chunks), the main research area is photocatalytic para selective alkylation aniline diazomalonate.

Visible-light-induced para-selective C-H functionalization of anilines over N-H insertion was developed using diazomalonates with the help of an Ir(III) photocatalyst. The para-selective radical-radical cross coupling proceeded via C-centered radical intermediates generated from both anilines and diazomalonates. The photochem. of anilines could be extended to other N-heterocycles, such as indole and carbazole. The reaction pathway for the selective C-C coupling was validated by electrochem. and photophys. experiments as well as computational studies.

Organic Letters published new progress about Alkylation, regioselective (photocatalytic). 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Application of 2-Aminobenzonitrile(Flakes or Chunks).

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Barnes, David M. published the artcileDiscovery and Development of Metal-Catalyzed Coupling Reactions in the Synthesis of Dasabuvir, an HCV-Polymerase Inhibitor, Quality Control of 1885-29-6, the main research area is synthesis optimization dasabuvir chemoselective regioselective coupling sulfonamidation catalyst; dasabuvir synthesis optimization mutagenic impurity removal.

Dasabuvir is an HCV polymerase inhibitor which has been developed as a part of a three-component direct-acting antiviral combination therapy. During the course of the development of the synthetic route, two novel coupling reactions were developed. First, the copper-catalyzed coupling of uracil with aryl iodides, employing picolinamide derivative I, as the ligand, was discovered. Later, the palladium-catalyzed sulfonamidation of aryl nonaflate II, was developed, promoted by electron-rich palladium complexes, including the novel phosphine ligand, VincePhos III. This made possible a convergent, highly efficient synthesis of dasabuvir that significantly reduced the mutagenic impurity burden of the process.

Journal of Organic Chemistry published new progress about Cross-coupling reaction (chemoselective). 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Quality Control of 1885-29-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Suresh, Sundaram published the artcileA Study of the Reactions of 3-Bromopropenals with Anilines for the Synthesis of α-Bromo Enaminones, Synthetic Route of 1885-29-6, the main research area is bromo enaminone preparation; aniline chemoselective diastereoselective addition bromopropenal.

A one-pot strategy for the synthesis of α-bromo enaminones is reported. The reactions proceed via the p-toluenesulfonic acid monohydrate catalyzed reactions of 3-bromopropenals with anilines in DMSO and do not require an external brominating agent. The chemoselective 1,2-addition was accomplished by employing aniline with a sterically hindered electron-withdrawing group attached at the ortho-position. In addition, the reactions involving other aniline derivatives as nucleophiles have resulted in minor yields of 1,4-addition product. The 3-bromopropenals showed a diverse range of reactivities with aniline derivatives

Advanced Synthesis & Catalysis published new progress about 1,2-Addition reaction (stereoselective). 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Synthetic Route of 1885-29-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Liu, Bingqi published the artcileConstruction of a Novel Z-Scheme Heterojunction with Molecular Grafted Carbon Nitride Nanosheets and V2O5 for Highly Efficient Photocatalysis, COA of Formula: C7H6N2, the main research area is grafted carbon nitride nanosheets vanadia efficient photocatalysis; photocatalytic water purification.

Mol. grafted carbon nitride (CN) nanosheets coupled with V2O5 to form a novel Z-scheme heterojunction photocatalyst V2O5/CNX (X is 2-aminobenzonitrile) by a facile in situ growth method was acquired. Its photocatalytic properties were investigated by hydrogen evolution and degradation of rhodamine B under simulated sunlight irradiation It was found that the assembled heterojunction could remarkably enhance photocatalytic activity in contrast to pure CN, V2O5, and previous reported heterojunctions. The great improvement of photocatalytic activity can be attributed to mol. grafting and the formation of the Z-scheme heterojunction, resulting in a remarkable red shift of the optical absorption, a rapid separation of charge carriers, an increase of sp. surface area, and introduction of defects. Moreover, exfoliation of bulk CNX into ultrathin nanosheets increases mobility of charges and sp. surface area. Different wt % ratios of V2O5-loaded heterojunctions were prepared, and 2% of V2O5-loaded heterojunctions were found to display optimal catalytic efficiency. The possible activity enhanced mechanism was proposed. This work reveals that the mol. grafted V2O5/CNX Z-scheme heterojunction can be utilized for highly efficient photocatalysis applied in energy conversion and environmental remediation.

Journal of Physical Chemistry C published new progress about Charge separation (photoinduced, electron-hole pair). 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, COA of Formula: C7H6N2.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts