Month: November 2022

Sato, Takahiro published the artcileDesign, synthesis, and pharmacological and pharmacokinetic evaluation of 3-phenyl-5-pyridyl-1,2,4-triazole derivatives as xanthine oxidoreductase inhibitors, Recommanded Product: 4-Hydroxyisophthalonitrile, the main research area is phenylpyridinyltriazole derivative preparation xanthine oxidoreductase.

In an effort to find a potent xanthine oxidoreductase (XO) inhibitor, we discovered the best compound I. Here, we describe the following: (1) the design, synthesis, and structure-activity relationship of a series of 3-phenyl-5-pyridyl-1,2,4-triazole derivatives by in vitro studies of XO inhibitory activity in bovine milk and in vivo studies of serum uric acid (UA) reductive activity in rats, (2) a drug interaction study by a cytochrome P 450 3A4 (CYP3A4) assay, and (3) a pharmacokinetic (PK) study. Compound I exhibits potent XO inhibitory activity, serum UA-lowering activity in rats, weak CYP3A4 inhibitory activity, and moderate PK profile.

Bioorganic & Medicinal Chemistry Letters published new progress about Enzyme inhibitors (xanthine oxidoreductase). 34133-58-9 belongs to class nitriles-buliding-blocks, name is 4-Hydroxyisophthalonitrile, and the molecular formula is C8H4N2O, Recommanded Product: 4-Hydroxyisophthalonitrile.

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

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

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

Zhang, Shaochen published the artcileDelayed catalyst function enables direct enantioselective conversion of nitriles to NH2-amines, Application In Synthesis of 100-70-9, the main research area is homoallylic amine preparation enantioselective addition diastereoselective reduction copper catalyst; delayed catalysis enantioselective diastereoselective synthesis homoallylic amine; mechanism enantioselective addition catalytic diastereoselective reduction homoallylic amine synthesis.

Accessing enantiomerically enriched amines often demands oxidation-state adjustments, protection and deprotection processes, and purification procedures that increase cost and waste, limiting applicability. When diastereomers can be formed, one isomer is attainable. Here, we show that nitriles, largely viewed as insufficiently reactive, can be transformed directly to multifunctional unprotected homoallylic amines by enantioselective addition of a carbon-based nucleophile and diastereodivergent reduction of the resulting ketimine. Successful implementation requires that competing copper-based catalysts be present simultaneously and that the slower-forming and less reactive one engages first. This challenge was addressed by incorporation of a nonproductive side cycle, fueled selectively by inexpensive additives, to delay the function of the more active catalyst. The utility of this approach is highlighted by its application to the efficient preparation of the anticancer agent (+)-tangutorine (I).

Science (Washington, DC, United States) published new progress about Addition reaction catalysts, stereoselective. 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, Application In Synthesis of 100-70-9.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Jafari, Fariba published the artcileGuanidine complex of copper supported on boehmite nanoparticles as practical, recyclable, chemo and homoselective organic-inorganic hybrid nanocatalyst for organic reactions, COA of Formula: C8H4N2, the main research area is copper immobilized guanidine modified boehmite nanoparticle preparation thermal stability; nitrile copper guanidine modified boehmite nanoparticle catalyst homoselective cycloaddition; phenyl tetrazole preparation; sulfide copper guanidine modified boehmite nanoparticle catalyst chemoselective sulfoxidation; sulfinyl preparation.

Boehmite (BO) nanoparticles (NPs) were prepared via the injection of aqueous NaOH solution to aqueous aluminum nitrate solution at room temperature Afterwards, a new complex of copper was immobilized on BO-NPs (Cu-Guanidine@BO-NPs). This heterogeneous nanocatalyst was used as a practical, recyclable, chemo and homoselective nanocatalyst in the organic processes, i.e. the preparation of tetrazole five-membered heterocycles and chemoselective sulfoxidation of sulfides using H2O2 as oxidant. In this sense, the prepared nanocatalyst was characterized by AAS, N2 adsorption-desorption isotherms, WDX, EDS, SEM, and TGA techniques. The reusability of this catalyst was investigated in the described organic reactions for several runs without notable loss of its catalytic activity. Moreover, all of the tetrazole and sulfoxide derivatives were isolated in high Turn Over Number (TON) and Turn Over Frequency (TOF) numbers indicating the high activity and selectivity of Cu-Guanidine@BO-NPs in the described reactions.

Applied Organometallic Chemistry published new progress about [3+2] Cycloaddition reaction (homoselective). 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, COA of Formula: C8H4N2.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Martin-Torres, Inmaculada published the artcileEnantioselective Alkoxycyclization of 1,6-Enynes with Gold(I)-Cavitands: Total Synthesis of Mafaicheenamine C, Formula: C8H4N2, the main research area is gold cavitand complex preparation catalyst enantioselective alkoxycyclization enyne mechanism; mafaicheenamine C enantioselective synthesis absolute configuration; alkoxycyclization; asymmetric synthesis; gold(I) cavitands; natural product synthesis.

Chiral gold(I)-cavitand complexes have been developed for the enantioselective alkoxycyclization of 1,6-enynes. This enantioselective cyclization has been applied for the first total synthesis of carbazole alkaloid (+)-mafaicheenamine C (I) and its enantiomer, establishing its configuration as R. The cavity effect was also evaluated in the cycloisomerization of dienynes. A combination of experiments and theor. studies demonstrates that the cavity of the gold(I) complexes forces the enynes to adopt constrained conformations, which results in the high observed regio- and stereoselectivities.

Angewandte Chemie, International Edition published new progress about Absolute configuration (of mafaicheenamine C). 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, Formula: C8H4N2.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Ashraf, Muhammad Aqeel published the artcileFe3O4@L-lysine-Pd(0) organic-inorganic hybrid: As a novel heterogeneous magnetic nanocatalyst for chemo and homoselective [2+3] cycloaddition synthesis of 5-substituted 1H-tetrazoles, Recommanded Product: Phthalonitrile, the main research area is tetrazole preparation green chem chemo homoselective; aryl nitrile sodium azide cycloaddition reaction palladium nanocatalyst.

An efficient and sustainable synthetic protocol has been presented to synthesis and 5-substituted 1H-tetrazole privileged heterocyclic substructures I (R = Ph, 4-formylphenyl, pyridin-2-yl, etc.). The synthetic protocol involves two-component reaction between aryl nitriles RCN and NaN3 in water using complex of L-lysine-palladium nanoparticles (NPs) modified Fe3O4 nanoparticles as magnetically separable, recyclable, and reusable heterogeneous catalyst. Magnetically retrievable L-lysine-Pd(0) modified Fe3O4 nanoparticles were applied in [2+3] cycloaddition synthesis of 5-substituted 1H-tetrazoles I. The advantages of this strategy include easy recovery and efficient reusability of the expensive Pd NPs, obtaining high yields of [2+3] cycloaddition and short reaction times, and all of the reported synthetic strategies are being performed in water as green solvent for a wide range of substrates.

Applied Organometallic Chemistry published new progress about [3+2] Cycloaddition reaction (chemoselective). 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, Recommanded Product: Phthalonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Ashraf, Muhammad Aqeel published the artcileFe3O4@L-lysine-Pd(0) organic-inorganic hybrid: As a novel heterogeneous magnetic nanocatalyst for chemo and homoselective [2+3] cycloaddition synthesis of 5-substituted 1H-tetrazoles, SDS of cas: 100-70-9, the main research area is tetrazole preparation green chem chemo homoselective; aryl nitrile sodium azide cycloaddition reaction palladium nanocatalyst.

An efficient and sustainable synthetic protocol has been presented to synthesis and 5-substituted 1H-tetrazole privileged heterocyclic substructures I (R = Ph, 4-formylphenyl, pyridin-2-yl, etc.). The synthetic protocol involves two-component reaction between aryl nitriles RCN and NaN3 in water using complex of L-lysine-palladium nanoparticles (NPs) modified Fe3O4 nanoparticles as magnetically separable, recyclable, and reusable heterogeneous catalyst. Magnetically retrievable L-lysine-Pd(0) modified Fe3O4 nanoparticles were applied in [2+3] cycloaddition synthesis of 5-substituted 1H-tetrazoles I. The advantages of this strategy include easy recovery and efficient reusability of the expensive Pd NPs, obtaining high yields of [2+3] cycloaddition and short reaction times, and all of the reported synthetic strategies are being performed in water as green solvent for a wide range of substrates.

Applied Organometallic Chemistry published new progress about [3+2] Cycloaddition reaction (chemoselective). 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

Perevoshchikova, Anna N. published the artcileSynthesis and Prediction of the Ubiquinol-cytochrome c Reductase Inhibitory Activity of 3,4-Dihydroisoquinolines and 2-Azaspiro[4.5]decanes (Spiropyrrolines), SDS of cas: 100-70-9, the main research area is ubiquinol cytochrome c reductase inhibitor hydroisoquinoline azaspirodecane.

Isoquinolines rank as the second largest group among the plant alkaloids. Natural isoquinolines and synthetic isoquinoline derivatives exhibit numerous biol. activities. In this study, the approaches to synthesis of new 3,4-dihydroisoquinoline and 2-azaspiro[4.5]decane (spiropyrroline) derivatives annelated by C(3)-C(4) bonds with a cyclohexyl or cyclopentyl moiety have been developed. In accord with the results of biol. activity prediction by the PASS software, mol. docking was carried out on the ubiquinol-cytochrome c reductase (bc1 complex) model. Compounds 6e and 12a,d (I – III, resp.) were found out as potential Q0 site inhibitors of the bovine bc1 complex.

Journal of Heterocyclic Chemistry published new progress about Drug screening (in silico, using PASS software). 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