Month: April 2022

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 7661-33-8, is researched, SMILESS is O=C1N(C2=CC=C(Cl)C=C2)CCC1, Molecular C10H10ClNOJournal, Synlett called Facile CuI-catalyzed arylation of azoles and amides using simple enaminones as efficient ligands, Author is Cheng, Cungui; Sun, Gonglei; Wan, Jieping; Sun, Cuirong, the main research direction is azole aryl halide arylation copper iodide dimethylaminopropenone hydroxyphenyl; arylated azole preparation; aryl halide amide arylation copper iodide dimethylaminopropenone hydroxyphenyl; amide arylated preparation; copper iodide arylation catalyst; dimethylaminopropenone hydroxyphenyl catalytic arylation ligand.Safety of 1-(4-Chlorophenyl)pyrrolidin-2-one.

(E)-3-(Dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one was found to be an excellent ligand for copper-catalyzed N-arylation of azoles and amides with aryl halides under mild conditions. The reaction took place at 82 °C in MeCN with broad functional-group compatibility. A combination of the ligand and CuI proved to be an efficient catalytic system to promote the coupling reactions of aryl halides with azoles and amides.

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Zheng, Yanling; Nie, Xufeng; Long, Yang; Ji, Li; Fu, Haiyan; Zheng, Xueli; Chen, Hua; Li, Ruixiang published the article 《Ruthenium-catalyzed synthesis of N-substituted lactams by acceptorless dehydrogenative coupling of diols with primary amines》. Keywords: lactam preparation green chem; diol amine dehydrogenative coupling ruthenium catalyst.They researched the compound: 1-(4-Chlorophenyl)pyrrolidin-2-one( cas:7661-33-8 ).Quality Control of 1-(4-Chlorophenyl)pyrrolidin-2-one. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:7661-33-8) here.

The first example of synthesis of N-substituted lactams I (R = Ph, 4-(propan-2-yl)phenyl, 2H-1,3-benzodioxol-5-yl, naphthalen-2-yl, etc.; n = 1,2,3) and N-(p-tolyl)isoindolin-2-one via an acceptorless dehydrogenative coupling of diols HO(CH2)2(CH2)nCH2OH and [2-(hydroxymethyl)phenyl]methanol with primary amines RNH2 in one step, which was enabled by combining Ru3(CO)12 with a hybrid N-heterocyclic carbene-phosphine-phosphine ligand as the catalyst have been reported.

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So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Kukalenko, S. S.; Gracheva, N. A. researched the compound: 1-(4-Chlorophenyl)pyrrolidin-2-one( cas:7661-33-8 ).Reference of 1-(4-Chlorophenyl)pyrrolidin-2-one.They published the article 《New synthesis of N-aryl- and N-alkylpyrrolidones, and some of their properties》 about this compound( cas:7661-33-8 ) in Khimiya Geterotsiklicheskikh Soedinenii. Keywords: aryl pyrrolidinones. We’ll tell you more about this compound (cas:7661-33-8).

N-Aryl pyrrolidinones (I) [R = 2,3-Me2C6H3, 2-ClC6H4, 4-ClC6H4, 3,4-Cl2C6H3, 4-BrC6H4, and 2,4-(MeO)BrC6H3] were prepared with 85-98% yield by heating equimolar amounts of γ-butyrolactone (II) and hydrochlorides of primary aromatic amines at 60-210° for 4-20 hr. The reaction of II with hydrochlorides of aliphatic amines proceeds with difficulty and the yield of the corresponding N-alkyl pyrrolidinones is 20-33%. All the pyrrolidinones are active fungicides.

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Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 7661-33-8, is researched, SMILESS is O=C1N(C2=CC=C(Cl)C=C2)CCC1, Molecular C10H10ClNOJournal, Organometallics called Dinuclear Copper(I) Complexes as Precatalysts in Ullmann and Goldberg Coupling Reactions, Author is Haldon, Estela; Alvarez, Eleuterio; Nicasio, M. Carmen; Perez, Pedro J., the main research direction is copper bisazaindolylmethane dinuclear complex preparation crystal structure; cross coupling catalyst copper bisazaindolylmethane dinuclear complex; Ullmann coupling catalyst copper bisazaindolylmethane dinuclear complex; Goldberg coupling catalyst copper bisazaindolylmethane dinuclear complex.Reference of 1-(4-Chlorophenyl)pyrrolidin-2-one.

The use of structurally well-characterized Cu(I) species as precatalysts in C-N and C-S bond forming reactions is described. Two new dinuclear Cu(I) complexes containing two isomeric ligands of bis(7-azaindolyl)methane were synthesized and fully characterized by NMR and x-ray diffraction studies. Both Cu(I) species exhibit a 1:1 Cu/L ratio and were used as precatalysts in the N-arylation of 2-pyrrolidinone and S-arylation of thiols with aryl iodides. The complexes efficiently catalyze these cross-coupling reactions, affording high yields of products under mild conditions.

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The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: Dichloro(1,5-cyclooctadiene)platinum(II)( cas:12080-32-9 ) is researched.Application In Synthesis of Dichloro(1,5-cyclooctadiene)platinum(II).Moon, Sangjoon; Horiuchi, Shinnosuke; Sakuda, Eri; Ito, Akitaka; Arikawa, Yasuhiro; Umakoshi, Keisuke published the article 《Synthesis and photophysical properties of butterfly-shaped dinuclear Pt(II) complex having NHC-based chelate ligands》 about this compound( cas:12080-32-9 ) in Inorganica Chimica Acta. Keywords: dinuclear platinum pyridylimidazole pyrazole complex preparation crystal structure luminescence; DFT calculation dinuclear platinum pyridylimidazole pyrazole complex. Let’s learn more about this compound (cas:12080-32-9).

A butterfly-shaped dinuclear Pt(II) complex having pyridyl-NHC chelate ligands and bridging Me2pz ligands was synthesized. The crystal structure of the Pt2 complex showed short intramol. Pt···Pt distance (3.129 Å) and unique packing structure containing 1-dimensional infinite pore that was filled with solvent mols. The absorbance was proportional to the concentration of Pt2 complex and no significant bands appeared even in high concentration (up to 100 μM). The Pt2 complex showed bluish-green emission (λmax = 459 nm) in the solid state at 298 K (λex = 330 nm). TD-DFT calculation revealed that the lowest-energy absorption bands are mainly assigned to the combination of metal-to-ligand charge transfer (MLCT) and ligand-to-ligand charge transfer (LLCT) transitions.

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Reference of 3-Bromo-4-chloronitrobenzene. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 3-Bromo-4-chloronitrobenzene, is researched, Molecular C6H3BrClNO2, CAS is 16588-26-4, about Synthesis of phenothiazines via ligand-free CuI-catalyzed cascade C-S and C-N coupling of aryl ortho-dihalides and ortho-aminobenzenethiols. Author is Dai, Chuan; Sun, Xiaofei; Tu, Xingzhao; Wu, Li; Zhan, Dan; Zeng, Qingle.

A ligand-free CuI-catalyzed cascade C-S and C-N cross coupling of (hetero)aryl ortho-dihalides and ortho-aminobenzenethiols has been developed, and various phenothiazines were synthesized with excellent regioselectivity. A possible mechanism is proposed for the cascade coupling.

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In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Photophysical Properties of Phosphorescent Mono- and Bimetallic Platinum(II) Complexes with C C* Cyclometalating NHC Ligands, published in 2021-02-22, which mentions a compound: 12080-32-9, mainly applied to imidazopyridinyl bimetallic platinum pyrazolate complex preparation electronic structure phosphorescence; crystal structure imidazopyridine bimetallic platinum pyrazolate complex; mol structure imidazopyridine bimetallic platinum pyrazolate complex; imidazopyridine cyclometalation platinum complex, Computed Properties of C8H12Cl2Pt.

Due to their square-planar geometry, Pt(II) complexes demonstrate an extraordinary and unique photophys. behavior. The photophys. properties of monometallic Pt(II) complexes depend on the concentration, while in bimetallic Pt(II) complexes they depend on the distance between the metal centers. The authors reveal a correlation between the electronic and photophys. properties of monomeric monometallic Pt(II) complexes and their aggregates with the corresponding bimetallic complexes.

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Jorgensen, William L.; Bollini, Mariela; Thakur, Vinay V.; Domaoal, Robert A.; Spasov, Krasimir A.; Anderson, Karen S. published the article 《Efficient Discovery of Potent Anti-HIV Agents Targeting the Tyr181Cys Variant of HIV Reverse Transcriptase》. Keywords: HIV Reverse Transcriptase inhibitor antiaids pyrimidinyl benzonitrile analog preparation.They researched the compound: 3-Bromo-4-chloronitrobenzene( cas:16588-26-4 ).Related Products of 16588-26-4. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:16588-26-4) here.

Non-nucleoside reverse transcriptase inhibitors (NNRTIs) that interfere with the replication of human immunodeficiency virus (HIV) are being pursued with guidance from mol. modeling including free-energy perturbation (FEP) calculations for protein-inhibitor binding affinities. The previously reported pyrimidinylphenylamine 1 (I) and its chloro analog 2 are potent anti-HIV agents; they inhibit replication of wild-type HIV-1 in infected human T-cells with EC50 values of 2 and 10 nM, resp. However, they show no activity against viral strains containing the Tyr181Cys (Y181C) mutation in HIV-RT. Modeling indicates that the problem is likely associated with extensive interaction between the dimethylallyloxy substituent and Tyr181. As an alternative, a phenoxy group is computed to be oriented in a manner diminishing the contact with Tyr181. However, this replacement leads to a roughly 1000-fold loss of activity for 3 (2.5 μM). The present report details the efficient, computationally driven evolution of 3 to novel NNRTIs with sub-10 nM potency toward both wild-type HIV-1 and Y181C-containing variants. The critical contributors were FEP substituent scans for the phenoxy and pyrimidine rings and recognition of potential benefits of addition of a cyanovinyl group to the phenoxy ring.

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COA of Formula: C7H10N2O. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 5-Methoxy-4-methylpyridin-3-amine, is researched, Molecular C7H10N2O, CAS is 77903-28-7, about A New Series of Orally Bioavailable Chemokine Receptor 9 (CCR9) Antagonists; Possible Agents for the Treatment of Inflammatory Bowel Disease. Author is Kalindjian, S. Barret; Kadnur, Sanjay V.; Hewson, Christopher A.; Venkateshappa, Chandregowda; Juluri, Suresh; Kristam, Rajendra; Kulkarni, Bheemashankar; Mohammed, Zainuddin; Saxena, Rohit; Viswanadhan, Vellarkad N.; Aiyar, Jayashree; McVey, Donna.

Chemokine receptor 9 (CCR9), a cell surface chemokine receptor which belongs to the G protein-coupled receptor, 7-trans-membrane superfamily, is expressed on lymphocytes in the circulation and is the key chemokine receptor that enables these cells to target the intestine. It has been proposed that CCR9 antagonism represents a means to prevent the aberrant immune response of inflammatory bowel disease in a localized and disease specific manner and one which is accessible to small mol. approaches. One possible reason why clin. studies with vercirnon, a prototype CCR9 antagonist, were not successful may be due to a relatively poor pharmacokinetic (PK) profile for the mol. We wish to describe work aimed at producing new, orally active CCR9 antagonists based on the 1,3-dioxoisoindoline skeleton. This study led to a number of compounds that were potent in the nanomolar range and which, on optimization, resulted in several possible preclin. development candidates with excellent PK properties.

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Computed Properties of C8H12Cl2Pt. So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic. Compound: Dichloro(1,5-cyclooctadiene)platinum(II), is researched, Molecular C8H12Cl2Pt, CAS is 12080-32-9, about Platinum(II) Complexes with 10-(Aryl)phenoxarsines: Synthesis, Cis/Trans Isomerization, and Luminescence.

Synthesis and structural and photophys. characterization of platinum dihalogenide complexes formulated as [PtHal2L2], where Hal = Cl and I, with different 10-(aryl)phenoxarsine ligands such as 10-(p-chlorophenyl)phenoxarsine, 10-(p-tolyl)phenoxarsine, and 10-(phenyl)phenoxarsine are reported. The structures of complexes were determined by NMR spectroscopy, mass spectrometry, and X-ray anal. Cis/trans isomerism of the complexes in solution was studied by NMR spectroscopy. In the solid state, under UV irradiation, platinum diiodide trans complexes exhibit an intense orange-red emission, which was attributed to a metal halide-centered triplet state. The UV/vis absorption and emission properties were studied and rationalized by d. functional theory (DFT) and time-dependent DFT calculations

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