Month: April 2022

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: (R)-2,2′,6,6′-Tetramethoxy-4,4′-bis(diphenylphosphino)-3,3′-bipyridine, is researched, Molecular C38H34N2O4P2, CAS is 221012-82-4, about Atropisomeric [(diphosphine)Au2Cl2] Complexes and their Catalytic Activity Towards Asymmetric Cycloisomerisation of 1,6-Enynes, the main research direction is enyne cycloisomerization stereoselective diphosphine gold catalyst; aurophilicity; catalysis; cycloisomerization; enynes; gold.Product Details of 221012-82-4.

X-ray crystal structures of two [(diphosphine)Au2Cl2] complexes (in which diphosphine = P-Phos and xylyl-P-Phos; P-Phos = [2,2′,6,6′-Tetramethoxy-4,4′-bis(diphenylphosphino)-3,3′-bipyridine]) were determined and compared to the reported structures of similar atropisomeric gold complexes. Correlations between the Au-Au distances and torsional angles for the biaryl series of ligands (MeOBIPHEP, SEGPhos, and P-Phos; BIPHEP = 2,2′-bis(diphenylphosphino)-1,1′-biphenyl, SEGPhos = [(4,4′-bi-1,3-benzodioxole)-5,5′-diyl]bis[diphenylphosphine]) can be made; these measurements appear to be very dependent upon the phosphorus substituent. Conversely, the same effect was not observed for ligands based on the binaphthyl (BINAP) series. The catalytic activity of these complexes was subsequently assessed in the enantioselective cycloisomerization of 1,6-enynes ArCCCH2OCH2CH:CHC6H5 (Ar = 4-O2NC6H4, 3-CH3OC6H4, C6H5, 4-CH3C6H4) and revealed an over-riding electronic effect: more-electron-rich phosphines promote greater enantioselectivity. The possibility of silver acting as a (co-) catalyst was ruled out in these reactions.

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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: 32717-95-6, is researched, SMILESS is C12=C(CCC3=C4CC2)[Cu+]1534[Cl-][Cu+]678(C9=C6CCC7=C8CC9)[Cl-]5, Molecular C16H16Cl2Cu2Journal, Article, Angewandte Chemie, International Edition called Oxazepine Synthesis by Copper-Catalyzed Intermolecular Cascade Reactions between O-Propargylic Oximes and Dipolarophiles, Author is Nakamura, Itaru; Kudo, Yu; Terada, Masahiro, the main research direction is oxime propargylic diastereoselective cascade dipolarophile copper catalyst; oxazepine alkylidene diastereoselective synthesis; copper; cycloaddition; heterocycles; rearrangement; synthetic methods.Reference of Chloro(1,5-cyclooctadiene)copper(I) dimer.

Oxazepines I [R1 = n-Pr, cyclohexyl, Ph, 4-F3CC6H4, 4-MeOC6H4; R2 = n-Pr, Me3SiCH2, Ph, 4-MeOC6H4, 4-F3CC6H4; R3 = H, 4-F3CC6H4; R5 = H, R4R6 = C(O)NR7C(O), R7 = H, Me, t-Bu, Ph, etc.; R4 = H, R5 = R6 = MeO2C, i-PrO2C; etc.] were efficiently prepared from O-propargylic oximes II and dipolarophiles R4R5C:CHR6 via copper-catalyzed cascade reactions which proceed through a 2,3-rearrangement, [3 + 2] cycloaddition, and subsequent 1,3-oxygen migration. The process involves the cleavage of C-O and N-O bonds.

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Novel spiroborates and a dipole moment study of 1,3,2 dioxaboraazulene-2-spiro-2′-(1′,3′,2′-benzodioxaborole)》. Authors are Balaban, A. T.; Bally, Ioana; Bishop, R. J.; Rentea, C. N.; Sutton, L. E..The article about the compound:8-Hydroxyquinoline 1-oxidecas:1127-45-3,SMILESS:OC1=CC=CC2=CC=C[N+]([O-])=C12).Application of 1127-45-3. Through the article, more information about this compound (cas:1127-45-3) is conveyed.

The large dipole moment (8.24 D.) of 5(7)-methyl-1,3,2-dioxaboraazulene-2-spiro-2′-(1′,3′,2′-benzodioxaborole) (I) confirms the spiran co-ordinated structure previously suggested. Stable spiroborates are formed from butoxy-benzodioxaborole with 8-hydroxyquinoline or its N-oxide, but not with 3-hydroxy-γ-pyrone.

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Application of 1127-45-3. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 8-Hydroxyquinoline 1-oxide, is researched, Molecular C9H7NO2, CAS is 1127-45-3, about Synthesis of a new chiral selector base on pracoterol for chiral stationary phase. Author is Zhang, Yiwen; Zeng, Hao; Yao, Shun; Song, Hang.

According to the chiral resolution mechanism and structures of Pirkle’s chiral stationary phase (CSP), a new amide chiral selector base on pracoterol was prepared in this thesis. To get a better yield, all the conditions and purification conditions of the reactions were studied, and the key products were characterized by HPLC, FTIR and 1H NMR. This chiral selector may be developed as chiral selector of CSP.

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COA of Formula: C9H7NO2. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 8-Hydroxyquinoline 1-oxide, is researched, Molecular C9H7NO2, CAS is 1127-45-3, about High anticancer activity and apoptosis- and autophagy-inducing properties of novel lanthanide(III) complexes bearing 8-hydroxyquinoline-N-oxide and 1,10-phenanthroline. Author is Yang, Yan; Zhou, Zhen; Wei, Zu-Zhuang; Qin, Qi-Pin; Yang, Lin; Liang, Hong.

In the quest for rare earth metal complexes with enhanced cancer chemotherapeutic properties, the discovery of seven lanthanide(III) complexes bearing 8-hydroxyquinoline-N-oxide (NQ) and 1,10-phenanthroline (phen) ligands as potential anticancer drugs is described. Complexes [SmIII(NQ)(phen)(H2O)Cl2] , [EuII(NQ)(phen)(H2O)Cl2] , [GdIII(NQ)(phen)(H2O)Cl2] , [DyIII(NQ)(phen)(H2O)Cl2] , [HoIII(NQ)(phen)(H2O)Cl2] , [ErIII(NQ)(phen)(H2O)Cl2] , and [YbIII(NQ)(phen)(H2O)Cl2] exhibit high antiproliferative activity against cisplatin-resistant A549/DDP cells (IC50 = 0.025-0.097 μM) and low toxicity to normal HL-7702 cells. Moreover, complex [SmIII(NQ)(phen)(H2O)Cl2], and to a lesser extent [YbIII(NQ)(phen)(H2O)Cl2], can upregulate the expression of LC3 and Beclin1 and downregulate p62 to induce apoptosis in cisplatin-resistant A549/DDP cell lines, which is related to the cell autophagy-inducing properties of [SmIII(NQ)(phen)(H2O)Cl2] and [YbIII(NQ)(phen)(H2O)Cl2]. Furthermore, in vivo assays suggest that [SmIII(NQ)(phen)(H2O)Cl2] significantly inhibits A549/DDP xenograft tumor growth (56.5%). These results indicate that lanthanide(III) complex [SmIII(NQ)(phen)(H2O)Cl2] is a promising candidate as an anticancer drug against cisplatin-resistant A549/DDP cells.

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Quinoxaline – Wikipedia,
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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: 4-Chloro-6-(1H-imidazol-1-yl)pyrimidine( cas:114834-02-5 ) is researched.Formula: C7H5ClN4.King, Dalton; Iwuagwu, Christiana; Cook, Jim; McDonald, Ivar M.; Mate, Robert; Zusi, F. Christopher; Hill, Matthew D.; Fang, Haiquan; Zhao, Rulin; Wang, Bei; Easton, Amy E.; Miller, Regina; Post-Munson, Debra; Knox, Ronald J.; Gallagher, Lizbeth; Westphal, Ryan; Molski, Thaddeus; Fan, Jingsong; Clarke, Wendy; Benitex, Yulia; Lentz, Kimberley A.; Denton, Rex; Morgan, Daniel; Zaczek, Robert; Lodge, Nicholas J.; Bristow, Linda J.; Macor, John E.; Olson, Richard E. published the article 《BMS-933043, a Selective α7 nAChR Partial Agonist for the Treatment of Cognitive Deficits Associated with Schizophrenia》 about this compound( cas:114834-02-5 ) in ACS Medicinal Chemistry Letters. Keywords: BMS933043 alpha7 nAChR agonist cognition enhancer antipsychotic schizophrenia; Schizophrenia; clinical candidate; quinuclidine; α7 nAChR partial agonist; α7 neuronal nicotinic acetylcholine receptor. Let’s learn more about this compound (cas:114834-02-5).

The therapeutic treatment of neg. symptoms and cognitive dysfunction associated with schizophrenia is a significant unmet medical need. Preclin. literature indicates that α7 neuronal nicotinic acetylcholine (nACh) receptor agonists may provide an effective approach to treating cognitive dysfunction in schizophrenia. The authors report herein the discovery and evaluation of I (BMS-933043), a novel and potent α7 nACh receptor partial agonist with high selectivity against other nicotinic acetylcholine receptor subtypes (>100-fold) and the 5-HT3A receptor (>300-fold). In vivo activity was demonstrated in a preclin. model of cognitive impairment, mouse novel object recognition. BMS-933043 has completed Phase I clin. trials.

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Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 1127-45-3, is researched, Molecular C9H7NO2, about Hydrogen bonds in quinoline N-oxide derivatives: first-principle molecular dynamics and metadynamics ground state study, the main research direction is hydrogen bonds quinoline oxide derivatives free energy surface; free energy surface proton motion reproduced unconstrained CPMD.Computed Properties of C9H7NO2.

Car-Parrinello mol. dynamics simulations were carried out for 8-hydroxyquinoline N-oxide (1) and 2-carboxyquinoline N-oxide (2) in vacuo and in the solid state. The first-principle approach was employed to intramol. hydrogen bond features present in the studied quinoline N-oxides. Grimme’s dispersion correction was employed throughout the study. Special attention was devoted to the solid-state computations knowing that in the mol. crystals, strong and weak interactions are responsible for spatial organization and mol. properties of mols. On the basis of Car-Parrinello mol. dynamics, it was possible to reproduce the hydrogen bond dynamics as well as to investigate the vibrational features on the basis of Fourier transform of the at. velocity autocorrelation function. The free energy surfaces for proton motion were reproduced by unconstrained CPMD runs as well as by metadynamics. Larger flexibility of the bridge proton in 2 was noticed. The computations are verified by exptl. X-ray and IR data available.

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An, Yong; Xu, Mao-liang; Wang, Zi-jun; An, Zhong-wei; Mi, Yang-li; Tian, Jie; Jiang, Han-yu published an article about the compound: 1-(Bromomethyl)-4-ethylbenzene( cas:57825-30-6,SMILESS:CCC1=CC=C(CBr)C=C1 ).Formula: C9H11Br. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:57825-30-6) through the article.

A series of novel blue light emitting materials 9,9′-bianthracene derivatives have been designed and synthesized by introducing different substituent groups through Suzuki coupling reactions. Their structure was identified by H NMR and UV-Vis absorption and fluorescence emission; Moreover, their fluorescence quantum efficiency and electrochem. properties were characterized in detail. The results indicate that all these compounds emit blue light, compared with 9,9′-bianthracene, the maximum emission peak of these materials is at 453 nm, red shift of 7 nm, and it is the typical blue fluorescence. This is because these derivatives have a non planar geometric structure. These derivatives also present high fluorescence quantum efficiency and are 1.18-1.43 times as much as that of 9,9′-bianthracene. In addition, their redox actives are also improved. Consequently, it was believed that these derivatives are potential ideal blue light fluorescent materials.

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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.Yang, Kai; Qiu, Yatao; Li, Zheng; Wang, Zhaoyang; Jiang, Sheng researched the compound: 8-Hydroxyquinoline 1-oxide( cas:1127-45-3 ).Name: 8-Hydroxyquinoline 1-oxide.They published the article 《Ligands for Copper-Catalyzed C-N Bond Forming Reactions with 1 Mol% CuBr as Catalyst》 about this compound( cas:1127-45-3 ) in Journal of Organic Chemistry. Keywords: aryl halide amine hydroxyquinoline oxide copper Ullman coupling; arylamine preparation; Ullman coupling catalyst hydroxyquinolinoxide copper. We’ll tell you more about this compound (cas:1127-45-3).

Several new ligands were designed to promote copper-catalyzed Ullman C-N coupling reactions. In this group, 8-hydroxyquinoline-N-oxide was found to serve as a superior ligand for CuBr-catalyzed coupling reactions of aryl iodides, bromides, and chlorides with aliphatic amines and N-heterocycles under a low catalyst loading (1% [Cu] mol). Reactions with the inexpensive catalytic system display a high functional group tolerance as well as excellent chemoselectivity.

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Application of 19777-66-3. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: (S)-Propane-1,2-diamine dihydrochloride, is researched, Molecular C3H12Cl2N2, CAS is 19777-66-3, about Resolution of propandiamine and synthesis of dexrazoxane. Author is Wang, Yuling; Song, Hongrui; Song, Aihua.

The resolution of propandiamine and synthesis of dexrazoxane were studied. Using 1,2-propandiamine as primary material, the synthetic method of dexrazoxane by resolution, alkylation and cyclization was established. The L-tartaric acid was used as a resolving reagent, 1,2-propandiamine was resolved and the (+)-enantiomer was obtained. The method of changing 1,2-propandiamine bitartrate into hydrochloride was improved. The method was simpler and might be of application.

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