Category: 100-70-9

Donslund, Aske S. published the artcileAccess to β-Ketonitriles through Nickel-Catalyzed Carbonylative Coupling of α-Bromonitriles with Alkylzinc Reagents, SDS of cas: 100-70-9, the main research area is keto nitrile preparation; nickel catalyst carbonylative coupling bromonitrile alkylzinc bromide; alkylzinc reagents; beta-ketonitriles; carbonylation; isotope labeling; nickel catalysis.

In the presence of an N-quinolinylglycine nickel complex, α-bromonitriles such as PhCH2CH2CHBrCN and alkylzinc bromides such as n-propylzinc bromide underwent carbonylative coupling with near stoichiometric carbon monoxide in a two-chamber reactor to yield β-keto nitriles such as PhCH2CH2CH(CN)COn-Pr. The method was used to prepare 13C-labeled β-keto nitriles and heterocycles derived from them using a 13C-labeled carbon monoxide source.

Chemistry – A European Journal published new progress about Carbonylation (coupling). 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

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

Liu, Beibei published the artcileConformational Dynamics-Guided Loop Engineering of an Alcohol Dehydrogenase: Capture, Turnover and Enantioselective Transformation of Difficult-to-Reduce Ketones, Recommanded Product: Picolinonitrile, the main research area is conformation dynamics engineering alc dehydrogenase enantioselective transformation difficult ketone.

Directed evolution of enzymes for the asym. reduction of prochiral ketones to produce enantio-pure secondary alcs. is particularly attractive in organic synthesis. Loops located at the active pocket of enzymes often participate in conformational changes required to fine-tune residues for substrate binding and catalysis. It is therefore of great interest to control the substrate specificity and stereochem. of enzymic reactions by manipulating the conformational dynamics. Herein, a secondary alc. dehydrogenase was chosen to enantioselectively catalyze the transformation of difficult-to-reduce bulky ketones, which are not accepted by the wildtype enzyme. Guided by previous work and particularly by structural anal. and mol. dynamics (MD) simulations, two key residues alanine 85 (A85) and isoleucine 86 (I86) situated at the binding pocket were thought to increase the fluctuation of a loop region, thereby yielding a larger volume of the binding pocket to accommodate bulky substrates. Subsequently, site-directed saturation mutagenesis was performed at the two sites. The best mutant, where residue alanine 85 was mutated to glycine and isoleucine 86 to leucine (A85G/I86L), can efficiently reduce bulky ketones to the corresponding pharmaceutically interesting alcs. with high enantioselectivities (∼99% ee). Taken together, this study demonstrates that introducing appropriate mutations at key residues can induce a higher flexibility of the active site loop, resulting in the improvement of substrate specificity and enantioselectivity.

Advanced Synthesis & Catalysis published new progress about Conformational transition. 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, Recommanded Product: Picolinonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Kessler, Matthew D. published the artcileCopper(I) iodide complexes with cyanopyridine and 3-nitropyridine ligands, Category: nitriles-buliding-blocks, the main research area is copper iodide cyanopyridine nitropyridine complex preparation crystal mol structure; luminescence metal ligand charge transfer copper iodide cyanopyridine nitropyridine.

The complexes of copper(I) iodide with the three cyanopyridine (PyCN) isomers and 3-nitropyridine have been prepared and characterized by thermal, spectroscopic, and crystallog. methods. The following compounds are reported: (CuI)2(2-PyCN)4 (1), (CuI)(2-PyCN) (2), (CuI)3(2-PyCN) (3), (CuI)2(3-PyCN)4 (4), (CuI)(3-PyCN) (5), (CuI)4(4-PyCN)5 (6), (CuI)4(3-PyNO2)4 (7), and (CuI)(3-PyNO2) (8). Compounds 1 and 4 are isostructural dimers featuring a central Cu2I2 rhomb. Compounds 2, 5, and 8 are isostructural and contain edge-sharing (Cu2I2)�1-D ladders. Compound 3 reveals a unique 2-D structure consisting of (Cu4I4)�triple ladders bridged by Cu2(2-PyCN)2 units that contain pairs of bridging 2-PyCN ligands. Compound 6 is composed of truncated ladder (CuI)4(4-PyCN)4 units that are bridged into a 1-D chain by an addnl. 4-PyCN ligand. Compound 7 is a cubane tetramer. The various yellow and orange PyCN compounds are all luminescent under UV irradiation and exhibit mixed halide/metal-to-ligand charge transfer, while the red and orange PyNO2 complexes are non-emissive at room temperature

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

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Thoke, Mahesh Bhagwan published the artcileUnimolecular cooperative metallaphotocatalysis with conjugately bridged Ir-Ni complexes and its applications in organic coupling reactions, Application In Synthesis of 100-70-9, the main research area is iridium nickel complex organic coupling reaction metallaphotocatalysis.

Recent advances successfully upgraded the unique cooperative partnership between two distinct metals in photocatalysis. Herein we report the design, synthesis and comprehensive study of a series of heteroleptic Ir(III) complexes with a pendant binding site for nickel. The neutral Ir·Lpytz complexes are apt to generate a novel unimol. Ir-Ni bimetallic system in situ during photocatalytic organic transformations where the pyridyl triazole ligand (Lpytz) acts as the conjugated bridge between Ir and Ni metal centers. A comparative study revealed that the bimetallic unimol. system with a conjugated linker is a convenient alternative to a bimol. system. UV-visible and photoluminescence quenching studies showed the importance of the conjugated bridging ligand to vectorial transfer of electrons from the photosensitizer unit to the reaction site. All novel Ir·Lpytz complexes were evaluated in three challenging, mechanistically distinct photoinduced cross-coupling reactions (C-O, C-S and C-N) to demonstrate the enormous potential of a conjugately bridged Ir-Ni catalytic system, thus representing an alternative unimol. bimetallic strategy for photocatalytic Ni mediated cross-coupling reactions.

Organic Chemistry Frontiers published new progress about Coupling reaction (organic). 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

Ma, Chun-Hua published the artcileTransition-metal-free three-component acetalation-pyridylation of alkenes via photoredox catalysis, HPLC of Formula: 100-70-9, the main research area is aryl pyridinyl propanal preparation antitumor human; alkene diethoxyacetic acid cyanopyridine acetalation pyridylation photoredox catalysis.

A general transition-metal-free photoinduced acetalation-pyridylation of alkenes using diethoxyacetic acid and cyanopyridine was developed under mild conditions. By employing 4CzIPN as the photocatalyst and Cs2CO3 as the base, a diverse range of styrene derivatives and cyanopyridines worked well to give the desired products I (R1 = H, 3-OMe, 2-Cl, etc.; R2 = H, 2-F, 4-OMe, etc.; R3 = H, Me, CH2CH2Ph). The versatility of this method is highlighted by its application in the construction of various functional groups and the late-stage modification of drugs. Importantly, some of the synthesized compounds showed good in vitro antitumor activity, indicating that this protocol is of significance and potential for antitumor drug development.

Chinese Journal of Catalysis published new progress about Acetalization (photochem.). 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, HPLC of Formula: 100-70-9.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Xie, Demeng published the artcileAlkyl/Glycosyl Sulfoxides as Radical Precursors and Their Use in the Synthesis of Pyridine Derivatives, Synthetic Route of 100-70-9, the main research area is pyridine alkyl regioselective preparation; alkyl glycosyl sulfoxide regioselective stereoselective photochem alkylation methoxypyridinium; Alkyl Sulfoxides; C-Glycosides; Electron Donor-Acceptor Complexes; Photochemistry; Radicals.

Here the use of simple and readily available alkyl sulfoxides as precursors to radicals and their application in the preparation of pyridine derivatives are reported. It was shown that alkyl sulfoxides, N-methoxy pyridinium salts and fluoride anions form electron donor-acceptor (EDA) complexes in solution, which, upon visible light irradiation, undergo a radical chain process to afford various pyridine derivatives smoothly. This reaction displays broad scope with respect to both sulfoxides and N-methoxy pyridinium salts. The synthetic versatility of sulfoxides as a handle in chem. adds to their power as radical precursors. Glycosyl sulfoxides are converted to the corresponding pyridyl C-glycosides with high stereoselectivities. Computational and exptl. studies provide insights into the reaction mechanism.

Angewandte Chemie, International Edition published new progress about Alkylation, regioselective. 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, Synthetic Route of 100-70-9.

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

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

Fatahi, Hosna published the artcileSynthesis of α-Aminonitriles and 5-Substituted 1H-Tetrazoles Using an Efficient Nanocatalyst of Fe3O4@SiO2-APTES-supported Trifluoroacetic Acid, Synthetic Route of 100-70-9, the main research area is iron oxide supported silylpropylammonium trifluoroacetic acid preparation surface structure; carbonyl compound aniline heterogeneous catalyst Strecker reaction green chem; phenylamino acetonitrile preparation; sodium azide aryl nitrile heterogeneous catalyst cycloaddition green chem; aryl tetrazole preparation.

Fe3O4@SiO2-APTES-supported trifluoroacetic acid nanocatalyst was used for the one-pot synthesis of α-aminonitriles via a three-component reaction of aldehydes (or ketones), amines and sodium cyanide. This method produced a high yield of 75-96% using only a small amount of the catalyst (0.05 g) in EtOH at room temperature The catalyst was also employed for the synthesis of 5-substituted 1H-tetrazoles from nitriles and sodium azide in EtOH at 80°. The tetrazoles were produced with good-to-excellent yields in a short reaction time of 4 h. Both synthetic methods were carried out in the absence of an organic volatile solvent. Because the supported trifluoroacetic acid generated a solid acid on the surface, thus the acid corrosiveness was not a serious challenge. This heterogeneous nanocatalyst was magnetically recovered and reused several times without significant loss of catalytic activity.

Journal of Heterocyclic Chemistry published new progress about [3+2] Cycloaddition reaction. 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, Synthetic Route of 100-70-9.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts