Month: November 2022

Stolz, Andreas published the artcileEnantioselective nitrile hydratases and amidases from different bacterial isolates, Computed Properties of 42872-30-0, the main research area is enantioselective nitrile hydratase amidase Rhodococcus Agrobacterium.

Different enrichment cultures were performed using various nitriles as sole source of nitrogen, succinate or a mixture of sugars as carbon sources and soil samples as inocula. It was attempted to obtain a relationship between the selective nitrogen source and the enzyme systems which were synthesized by the isolates, the enzyme specificities, and enzyme enantioselectivities. Various strains were obtained which harbored enantioselective nitrilases, nitrile-hydratases or amidases. The enantioselective amidase from the isolate Rhodococcus erythropolis MP50 and the enantioselective nitrile hydratase from Agrobacterium tumefaciens d3 were studied in greater detail. The purified amidase from R. erythropolis MP50 hydrolyzed 2-phenylpropionamide, naproxen amide and ketoprofen amide with enantiomeric excesses (ee)>99% up to 49% conversion of the resp. substrates. In the presence of hydroxylamine, the amidase also formed the corresponding hydroxamates enantioselectively. These chiral hydroxamates could be chem. converted by a Lossen rearrangement into chiral amines. The partially purified nitrile hydratase from A. tumefaciens d3 converted 2-phenylbutyronitrile and ketoprofen nitrile to the corresponding S-amides with ee values>90% at 30% conversion of the resp. substrate.

Journal of Molecular Catalysis B: Enzymatic published new progress about Alcaligenes (strain NM10). 42872-30-0 belongs to class nitriles-buliding-blocks, name is 2-(3-Benzoylphenyl)propanenitrile, and the molecular formula is C16H13NO, Computed Properties of 42872-30-0.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Deshmukh, Shubham Avinash published the artcileMetal Free Porphyrin Photocatalyst Comprising Ionic Liquid with Electron Donor Acceptor Moiety for Visible Light Assisted Oxidative Amination, Formula: C8H4N2, the main research area is porphyrin photocatalyst ionic liquid electron visible light oxidative amination.

Metal leaching and stability of heterogeneous catalysts is the main concern in pharmaceutical, fine chem. industries, enhancing metal contamination of the product. In this protocol, we report design and characterizations of a metal free porphyrin (MFPc) photocatalyst with electron donor acceptor (dicyano) moiety, for oxidative amination of benzyl amine under irradiation of 5 W LED light in a home-made photoreactor. Contrasted with the poor photocatalytic property of different derivatives of porphyrins, MFPc presents a significant improvement in imine formation (83%). The influence of various factors including quantity of catalyst, duration, and intensity of light (512 W), for oxidative amination were explored. MFPc with favorable properties like Hammett acidity (1.11), band gap (1.37 eV), explored for the synthesis of pharmaceutically important benzimidazole, from o-phenylene diamine. Moreover, MFPc displayed good reusability for 6 consecutive runs with negligible decrease in yield of imine at ambient reaction conditions. Addnl., a probable mechanism for imine formation was proposed.

ChemistrySelect published new progress about Acidity function, Hammett. 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

Bhuse, Darpan Vijaykumar published the artcileVisible-Light Aided C-H activation: Metal/Base-Free Generation of C-C bonds using Porphyrin Photocatalyst, Category: nitriles-buliding-blocks, the main research area is porphyrin photocatalyst preparation green photochem arylation.

Herein, we report the application of a meso-substituted porphyrin dyad entangled with carboxyl functionalized benzimidazolium moieties (CPDCFBM) as a heterogeneous photocatalyst for C-H activation of various electron-donating and withdrawing aromatic compounds with highly inactivated aryl fluoride, chlorides, and other aryl bromides. A simple methodol. adopted to synthesize the corresponding product has received an outstanding yield from (69-88 %) under 5 W illumination using a homemade photoreactor assembly. CPDCFBM tolerated various functional groups with recyclability up to five runs without much decline in photocatalytic activity. Photogenerated excitons vitality in the reaction was analyzed using K2S2O8 and KI. CPDCFBM was shown a Hammett acidity value of 0.77. The reaction conditions were optimized as; time (18 h), catalyst (15 mg), and light illumination (5 W) from an LED source using ethanol as an eco-friendly solvent. The products obtained were crystalline and therefore need no further purification The electroanal. study revealed HOMO and LUMO energy of -5.841 and -4.066 resp. accounting for an energy gap of, 1.7 eV.

ChemistrySelect published new progress about Acidity function, Hammett. 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, Category: nitriles-buliding-blocks.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Wegman, M. A. published the artcileHydrolysis of D,L-phenylglycine nitrile by new bacterial cultures, Category: nitriles-buliding-blocks, the main research area is bacterial enantiomeric hydrolysis phenylglycine nitrile.

Bacterial cultures were screened for nitrile hydratase/amidase activity towards phenylglycine nitrile. Various strains were obtained, which harbored a nonselective nitrile hydratase and an extremely L-selective amidase. A highly active strain, identified as a Rhodococcus sp. was cultured with different nitriles as the sole source of nitrogen. The growth rate of the cells was not influenced by the structure of the nitriles, but the effect on the specific activity of the nitrile hydratase was significant. The best result was obtained with the cells grown on 2-methyl-3-butenenitrile. Hydrolysis of D,L-phenylglycine nitrile catalyzed by this culture gave D-phenylglycine amide in 48% yield and >99% ee and L-phenylglycine in 52% yield and 97% ee.

Journal of Molecular Catalysis B: Enzymatic published new progress about Enzymic kinetic resolution. 42872-30-0 belongs to class nitriles-buliding-blocks, name is 2-(3-Benzoylphenyl)propanenitrile, and the molecular formula is C16H13NO, Category: nitriles-buliding-blocks.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Feng, Guang-Shou published the artcileIridium-catalyzed asymmetric hydrogenation of quinazolinones, Category: nitriles-buliding-blocks, the main research area is dihydroquinazolinone preparation enantioselective; quinazolinone asym hydrogenation iridium diphosphine complex catalyst.

Enantioselective hydrogenation of quinazolinones was successfully realized by employing a chiral iridium/diphosphine complex as catalyst, furnishing the chiral dihydroquinazolinones I [R = i-Pr, Ph, 4-ClC6H4, etc.] with excellent yield and up to 98% enantioselectivity. Asym. hydrogenation at the gram scale was also conducted smoothly without loss of reactivity and enantioselectivity. Using the above methodol. as the key step, the enantiopure bioactive Eg5 inhibitor and (-)-SDZ 267-489 could also be conveniently synthesized.

Organic Chemistry Frontiers published new progress about Enantioselective synthesis. 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

Potikha, L. M. published the artcileCondensed isoquinolines. 23. Reaction of [o-(bromomethyl)phenyl]acetonitrile with anthranilic acids: synthesis of 6H,12H,17H-dibenzo[3,4:6,7][1,8]naphthyridino[1,8-ab]quinazoline-6,17-diones, Application In Synthesis of 73217-11-5, the main research area is anthranilic acid cyclocondensation bromomethylbenzeneacetonitrile; isoquinoquinazolinone derivative preparation; dibenzonaphthyridinoquinazolinedione derivative preparation.

The direction of the reaction of anthranilic acids with [o-(bromomethyl)phenyl]acetonitrile upon fusion depends on the temperature and nature of the substituent in the anthranilic acid. The reaction may lead to three types of products: derivatives of 7,12-dihydro-5H-isoquino[2,3-a]quinazolin-5-ones below 150° and to 6,11-dihydro-13H-isoquino[3,2-b]quinazolin-13-ones, e.g., I, or 6H,12H,17H-dibenzo[3,4:6,7][1,8]naphthyridino[1,8-ab]quinazoline-6,17 -diones (II; R1 = H, Cl; R2 = H, Br, Cl) above 150° depending on the nature of the substituent in the anthranilic acid. A study was carried out on the mechanism for the formation of 6H,12H,17H-dibenzo[3,4:6,7][1,8]naphthyridino[1,8-ab]quinazoline-6,17 -diones, which permitted the preparation of 6-(4-methylphenyl)-6,12-dihydro-5H-isoquino[2,3-a]quinazolin-5-one (III).

Chemistry of Heterocyclic Compounds (New York, NY, United States) published new progress about Cyclocondensation reaction. 73217-11-5 belongs to class nitriles-buliding-blocks, name is 2-(2-(Bromomethyl)phenyl)acetonitrile, and the molecular formula is C9H8BrN, Application In Synthesis of 73217-11-5.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Kisel, V. M. published the artcileCondensed isoquinolines. 15. Synthesis of 5,10-dihydro[1,2,4]triazolo[1,5-b]isoquinolines and related spiranes, Category: nitriles-buliding-blocks, the main research area is triazoloisoquinoline synthesis cyclocondensation reaction.

Condensation of o-bromomethylphenylacetonitrile with arylcarbohydrazides gave, depending on the reaction conditions, gave 2-aryl-5,10-dihydro[1,2,4]triazolo[1,5-b]isoquinolines I (R1 = R2 = H; R1 = H, R2 = 3-Br; R1 = OH, R2 = H; R1 = OH, R2 = 5-Br) or 2-arylcarboxamido-1,4-dihydroisoquinoline-3(2H)-imine hydrobromides II (R1 = R2 = H; R1 = H, R2 = 3-Br; R1 = OH, R2 = H; R1 = OH, R2 = 5-Br; R1 = OAc, R2 = H). Analogous condensation of 4-(2-bromomethylphenyl)tetrahydro-2H-pyran-4-carbonitrile and 1-(2-bromomethylphenyl)-1-cyclopentanecarbonitrile with arylcarbohydrazides gave resp. 2-aryl-2,3,5,6-tetrahydrospiro-4H-pyran-4,10′(5’H)-[1,2,4]triazolo[1,5-b]isoquinolines III (X = O, Y = CH2; R1 = R2 = H; R1 = H, R2 = 3-Br; R1 = OH, R2 = H; R1 = OH, R2 = 5-Br) and 2-arylspiro[1,2,4]triazolo[1,5,b]isoquinoline-10(5’H)-1′-cyclopentanes III (X = bond, Y = CH2; R1 = R2 = H; R1 = H, R2 = 3-Br; R1 = OH, R2 = H; R1 = OH, R2 = 5-Br), derivatives of new spirane heterocycles. The reaction with condensing agents of 3-imino-2,2′,3,3’5′,6′-hexahydrospiro[isoquinoline-4(1H),4′-4H-pyran]-2-amine hydrobromide IV (X = O, Y = CH2) and 3-imino-2,3-dihydrospiro-[isoquinoline-4(1H),1′-cyclopentane]-2-amine hydrobromide IV (X = bond, Y = CH2) synthesized from the corresponding bromo nitriles and hydrazine, may serve as an alternative route for the synthesis of these compounds The structure of obtained triazoloisoquinolines was established from IR, 1H and 13C NMR spectra. An X-ray crystallog. study of 2-phenylspiro[1,2,4]triazolo[1,5-b] isoquinoline-10(5H),1′-cyclopentane was carried out.

Chemistry of Heterocyclic Compounds published new progress about Cyclocondensation reaction. 73217-11-5 belongs to class nitriles-buliding-blocks, name is 2-(2-(Bromomethyl)phenyl)acetonitrile, and the molecular formula is C9H8BrN, Category: nitriles-buliding-blocks.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Li, Shigang published the artcileRestricting structural relaxation of a phosphorescent copper emitter via polymer framework: Characterization and performance, Formula: C6H4N2, the main research area is crystal structure copper iodophenylpyridinyloxadiazole phosphine; copper pyridyloxadiazole preparation.

A diamine ligand having an electron-withdrawing oxadiazole in its mol. structure was designed. With the help from an auxiliary ligand, PPh3, its Cu(I) complex was synthesized and analyzed, including single crystal structure, electronic transitions and photophys. features. A distorted tetrahedral coordination field was adopted by this Cu(I) complex which experienced intense geometric distortion. To limit this excited state geometric distortion and consequently improve its emissive performance, this Cu(I) complex was dispersed and immobilized into a polymer rigid framework through electrospinning method. A detailed anal. on the photophys. parameters of solid sample, solution sample and electrospinning fibrous samples suggested that polymer immobilization was highly effective in limiting excited state geometric distortion. Dopant mols. were dispersed and immobilized in polymer’s rigid and protective microenvironment. In this case, their geometric distortion was effectively limited, showing improved photophys. performance, such as emission blue shift, long-lived emissive center and better photostability.

Journal of Molecular Structure published new progress about Charge transfer transition. 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, Formula: C6H4N2.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Petrenko, Yuliia P. published the artcileSynthesis, crystal structure and magnetic properties of new copper(II) complexes based on 3-(2-pyridyl)-1,2,4-triazole, Formula: C6H4N2, the main research area is copper pyridyltriazole sulfate solvate complex preparation crystal structure; magnetic property copper pyridyltriazole sulfate solvate complex.

The synthesis, crystal structure, spectroscopic and magnetic properties of binuclear [Cu2(L)2(SO4)(H2O)3]·3H2O (4a) and tetranuclear [Cu4(HL)2(L)4(DMF)2(SO4)2]·DMF (4b) copper(II) complexes are reported (HL is 3-(pyridine-2-yl)-1,2,4-triazole). Potentiometric titrations, ESI-MS and spectrophotometric studies of complex formation in MeOH/H2O solutions indicated the presence of monomeric [CuHL]2+, dinuclear [Cu2L2]2+ and [Cu2L2(OH)]+, and trinuclear [Cu2L3]+ and [Cu2L3(OH)] species. The small N,N-nucleating ligand HL leads to a supramol. formation of the complexes. The ligand comprises a triazole moiety substituted by pyridine group, strategically located to form chelate metalocycles. The basis of both complexes is two metal centers bridged via N1-N2 diazine grouping of a triazole ring. For complex 4b two HL coordinate in acido form via NPy and N4 of azole moiety as well. There are significant differences in the polyhedrons, namely nuclearity and Cu…Cu separations Complexes were characterized by elemental anal., mass-spectrometry, IR- spectroscopy and x-ray anal. Magnetic measurements revealed that both compounds exhibit antiferromagnetic interaction. The magnetic susceptibility data were interpreted on the basis of the spin Hamiltonian in the temperature range (2-300 K) using the dinuclear (4a:J1 = -52.41 cm-1) and tetranuclear (4b:J1 = -53.10 cm-1 to J2 = -0.14 cm-1) models.

Inorganica Chimica Acta published new progress about Antiferromagnetic exchange. 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, Formula: C6H4N2.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Lee, Cheng-Ting published the artcileScreening of CO2 utilization routes from process simulation: Design, optimization, environmental and techno-economic analysis, Computed Properties of 100-70-9, the main research area is carbon dioxide utilization simulation optimization techno economic analysis.

This work aims at evaluating potential direct CO2 conversion processes through systematic screening and process simulation. Fifteen direct routes converting CO2 to carbonates or carbamates, with in situ chem. dehydration using 2-cyanopyridine (2-CP) are focused. The work covers an extensive examination (and supplement) on the phys. properties, selection of promising routes, process simulation, optimization, environmental, and techno-economic evaluation. Firstly, three promising routes were selected, producing di-Me carbonate (DMC), di-Pr carbonate (DPC), and Iso-Pr N-phenylcarbamate (IPPhCM), based on three criteria: azeotropic search, product selectivity and reacting conditions. Next, the corresponding processes were simulated, optimized, heat-integrated, and systematically compared with the previously-proposed di-Et carbonate (DEC) process through environmental and economic anal. From environmental anal., the CO2 emission rate (CO2-e, in kg/kg-product) was 0.067, 0.088, -0.040 and -0.154 for producing DMC, DPC, IPPhCM and DEC, resp. By reducing the excess ratio used for reaction (i.e. 2-CP/alc. or amine/alc.), the CO2-e improved to -0.122, -0.086, and -0.117 for producing DMC, DPC and IPPhCM, resp. Finally, the min. required selling prices (MRSP) at 15% internal rate of return (IRR) were determined, with the unit price of 2-CP, 2-picolinamide (2-PA), and the reactor residence time regarded as uncertainties. The MRSPs for DMC, DPC, IPPhCM and DEC are found in the range of 1.50-4.96, 2.29-4.24, 2.07-4.06 and 1.12-2.81 (all in USD/kg), resp. Future studies exploring the com. availability and the regeneration of 2-CP, and the feasibility of reducing the excess ratio and the reaction residence time are considered helpful.

Journal of CO2 Utilization published new progress about Analysis (techno-economic). 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, Computed Properties of 100-70-9.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts