Day: April 18, 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: 32717-95-6, is researched, SMILESS is C12=C(CCC3=C4CC2)[Cu+]1534[Cl-][Cu+]678(C9=C6CCC7=C8CC9)[Cl-]5, Molecular C16H16Cl2Cu2Journal, Chemistry & Industry (London, United Kingdom) called Convenient method for the preparation of certain copper(I) chloride-diene complexes, Author is Banthorpe, Derek V.; Young, Michael R.; Fordham, William D., the main research direction is copper chloride diene complex.Synthetic Route of C16H16Cl2Cu2.

The complexes were prepared by distilling the olefin, e.g. butadienes, into NH4Cl and CuCl in H2O under N at 0°. Structures were discussed with reference to the CuCl-catalyzed hydrochlorination of myrcene.

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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: (S)-Propane-1,2-diamine dihydrochloride, is researched, Molecular C3H12Cl2N2, CAS is 19777-66-3, about The effect of π-π stacking interaction of the indole ring with the coordinated phenoxyl radical in a nickel(II)-salen type complex. Comparison with the corresponding Cu(II) complex, the main research direction is nickel copper Schiff diaminoindolylpropane diaminopropane hydroxymethoxybenzaldehyde preparation CD spectra; redox potential XANES nickel copper Schiff diaminoindolylpropane diaminopropane hydroxymethoxybenzaldehyde; frontier mol orbital nickel copper Schiff diaminoindolylpropane diaminopropane hydroxymethoxybenzaldehyde; crystal structure nickel copper Schiff diaminoindolylpropane diaminopropane hydroxymethoxybenzaldehyde complex.Category: quinoxaline.

To gain new insights into the effect of the π-π stacking interaction of the indole ring with the phenoxyl radical moiety as seen in the active form of galactose oxidase, the authors prepared Ni(II) complexes of a methoxy substituted salen-type ligand containing a pendent indole ring on the dinitrogen chelate backbone and characterized their 1-electron oxidized forms. The x-ray crystal structure anal. and the other physicochem. experiments of the Ni(II) complex revealed no significant intramol. interaction of the indole ring with the coordination plane. However, the x-ray crystal structures of the oxidized Ni(II) complex exhibited the π-π stacking interaction of the indole ring mainly with one of the two phenolate moieties. While the phenoxyl radical electron was delocalized on the two phenolate moieties in the Ni(II)-salen coordination plane, the phenolate moiety in close contact with the indole moiety was considered to be the initial oxidation locus, indicating that the indole ring interacted with the phenoxyl radical by π-π stacking. The UV-visible-NIR spectrum of the oxidized Ni(II) complex with the pendent indole ring was different from that of the complex without the side chain indole ring, but the differences were rather small in comparison with the oxidized Cu(II)-salen complexes with the π-π stacking interaction of the indole ring. Such differences are due to the electronic structure difference, the localized radical electron on one of the phenolate moieties in the oxidized Cu(II) complexes being more favorable for the π-π stacking interaction.

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Mechanism of aromatic side-chain reactions with special reference to the polar effects of substituents. IV. The mechanism of quaternary salt formation》. Authors are Baker, John W.; Nathan, Wilfred S..The article about the compound:1-(Bromomethyl)-4-ethylbenzenecas:57825-30-6,SMILESS:CCC1=CC=C(CBr)C=C1).Recommanded Product: 57825-30-6. Through the article, more information about this compound (cas:57825-30-6) is conveyed.

cf. C. A. 29, 4657.5. The following data are given for the reaction of RC6H4CH2Br with C5H5N in dry Me2CO at the temperatures given, where R is: p-Me, 20°, 2.020 (kp × 104, g.-mol./l./sec.); 40°, 7.983; p-Et, 20°, 1.811; 30°, 3.517; 40°, 6.733; p-iso-Pr, 20°, 1.633; 40°, 6.500; p-tert-Bu, 20°, 1.652; 30°, 3.357; 40°, 6.467; 2,4-Me2, 20°, 6.287; 30°, 12.48; 40°, 24.05; 2,4-(NO2)2, 20°, 2.288; 30°, 4.700; 40°, 8.960. The results show that the small retarding effect of a p-NO2 group is replaced by an accelerating effect when a 2nd NO2 group is introduced into the 2-position. In a series of substituents arranged in order of decreasing +I or increasing -I effects, a min. velocity is found with the p-NO2 compound: 2,4-Me2 > (p-tert-Bu < p-iso-Pr < p-Et < p-Me) > H > p-NO2 ≪ 2,4-(NO2)2. The position of the 2,4-(NO2)2 group illustrates a new phenomenon, viz., the occurrence of a min. velocity in a graded polar series without change in reaction kinetics. The interaction of the 2,4-dinitrobenzyl bromide with C5H5N is strictly bimol., the velocity coefficient in Me2CO at 40° being independent of the concentration The accelerating effect of the 2,4-(NO2)2 groups observed in dry Me2CO is almost absent in aqueous 90% Me2CO and becomes a retarding effect in aqueous 90% EtOH. The results thus far show (1) the reaction between benzyl halides and tert-bases in non-aqueous media is strictly bimol. and involves a simultaneous addition and dissociation; the Arrhenius energy of activation E is, within exptl. error, unaffected by substituents and is closely related to the energy changes involved in the electron cycle as a whole; the velocity of the reaction, as affected by substituent groups in the aryl bromide, is determined mainly by some factor which is incorporated in the term P of the equation kp = PZe-E/RT; electron accession toward the side chain (+I effect) increases the reaction velocity; up to a point (at p-NO2), decrease of electron availability in the side chain decreases the velocity, but greater electron recession (in 2,4-(NO2)2) from the side chain to the nucleus reverses this effect and greatly increases the velocity. 2,4-Dinitrobenzylpyridinium bromide, m. 196° (decomposition). p-Ethylbenzyl bromide, b0.8 84°, m. 14.5-5.2°, from the chloride and NaBr in 90% aqueous Me2CO; iso-Pr homolog, b0.4 75°; tert-Bu homolog, b0.3 99°, m. 15.1°; 2,4-dimethylbenzyl bromide, b1.2 79°, m. 15°.

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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: Chloro(1,5-cyclooctadiene)copper(I) dimer, is researched, Molecular C16H16Cl2Cu2, CAS is 32717-95-6, about Convenient method for the preparation of certain copper(I) chloride-diene complexes, the main research direction is copper chloride diene complex.Name: Chloro(1,5-cyclooctadiene)copper(I) dimer.

The complexes were prepared by distilling the olefin, e.g. butadienes, into NH4Cl and CuCl in H2O under N at 0°. Structures were discussed with reference to the CuCl-catalyzed hydrochlorination of myrcene.

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Ternary fluorides. I. Structure, magnetism, and reflection spectra of alkali, ammonium, and thallium nickel(II) fluorides》. Authors are Ruedorff, Walter; Kaendler, Joachim; Babel, Dietrich.The article about the compound:Nickel(ii)fluoridetetrahydratecas:13940-83-5,SMILESS:[H]O[H].[H]O[H].[H]O[H].[H]O[H].[Ni+2].[F-].[F-]).HPLC of Formula: 13940-83-5. Through the article, more information about this compound (cas:13940-83-5) is conveyed.

By heating stoichiometric mixtures of the anhydrous component fluorides or H fluorides, the ternary compounds M2NiF4 (M = Li, Rb, NH4, or Tl) and MNiF3, (M = Na, Rb, or NH4) were prepared Li2NiF4 has an inverted spinel structure, space group O7h, a 8.313 A., Z = 8, d21 3.47. The other M2NiF4 compounds have a tetragonal, K2MgF4-type lattice, space group D174h, with a and c 4.006 and 13.076; 4.087 and 13.71; 4.084 and 13.79; and 4.051 and 14.22 A. for M = K, Rb, NH4, and Tl, resp. For the K, NH4, and Tl compounds d22 = 4.38, 2.39, and 7.85, resp. NaNiF3 has a rhombic, distorted, perovskite lattice, space group D162h, a 5.360, b 5.525, c 7.705 A., Z = 4, d. 4.04. RbNiF3 has a hexagonal, BaTiO3-type, perovskite lattice, space group D46h, a 5.843, c 14.31 A., d22 4.74. NH4NiF3 is pseudocubic, a 8.145 A., d21 3.26. KNiF3 is cubic, space group O1h, a 4.011 A. The lattice constant of the mixed crystals (KNiF3-KF) formed by mixing boiling NiCl2 and KCl solutions increases with KF content. The mixed crystals are a subtraction phase with vacancies in the Ni++ and F- partial lattices. From magnetic susceptibility data (77-473°K.) the compounds are divided into 3 groups: Li2NiF4, NiF2.4H2O, and (NH4)2NiF4.2H2O, which follow the Curie-Weiss law with low values of θ and which show the normal paramagnetism of Ni++ ion; antiferromagnetic compounds KNiF3, K2NiF4, Rb2NiF4, (NH4)2NiF4, and Tl2NiF4; and NaNiF3, NH4NiF3, and RbNiF3, which at low temperatures are weakly ferro- or ferrimagnetic. The different magnetic behaviors are discussed in relation to the structures, Ni-F-Ni angles, and Ni-F distances in the lattices. Reflection spectra of NiF2, KNiF3, K2NiF4, NaNiF3, Rb2NiF4, and Li2NiF4 are discussed and the absorption bands correlated with transitions among the energy levels of the Ni++ ion.

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In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Low-dimensional compounds containing bioactive ligands. Part XVI: Halogenated derivatives of 8-quinolinol N-oxides and their copper(II) complexes, published in 2021-12-15, which mentions a compound: 1127-45-3, Name is 8-Hydroxyquinoline 1-oxide, Molecular C9H7NO2, Quality Control of 8-Hydroxyquinoline 1-oxide.

Four N-oxides, 8-quinolinol N-oxide (8-HQNO), 5,7-dichloro-8-quinolinol N-oxide (HdClQNO), 5,7-dibromo-8-quinolinol N-oxide (HdBrQNO) and 7-iodo-8-quinolinol N-oxide (HIQNO) as well as their six copper complexes, CuCl2(8-HQNO)2(H2O) (1), CuCl2(HdClQNO)2(H2O)2 (2), Cu(dClQNO)2(CHCl3) (3), Cu(dClQNO)2(H2O) (4), {[Cu(dBrQNO)2]•2H2O}n (5) and CuCl2(HIQNO)2(H2O)4 (6) were synthesized as possible anticancer agents. Crystal structures of N-oxides contain planar mols. held together via hydrogen bonds involving oxygen atoms of N-oxide groups as acceptors. Crystal structure of 5 represents the first structure of a copper(II) complex with an N-oxide ligand derived from 8-HQNO and is formed by infinite chains. In the chain, the Cu(II) atom coordinates to six oxygen atoms from two bidentate chelating dBrQNO ligands occupying apexes of elongated tetragonal bipyramid with bridging oxygen atoms of N-oxide groups in axial positions. Antiproliferative activity of prepared N-oxides as well as their complexes was studied using in vitro MTT assay against the MDA-MB-231, HCT-116 and A549 cancer cell lines and their selectivity was verified on MSCs cells. Among the tested cancer cell lines, A549 and MDA-MB-231 cells were the most sensitive to the tested complexes. Complex 1 showed the highest cytotoxicity against both tumor cell lines. At concentration, which could be tested in animal models, 1 induced cell death in >50% of cancer cells and in 20% of MSCs indicating its selectivity.

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In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Enantioselective Palladium-Catalyzed Hydrophosphinylation of Allenes with Phosphine Oxides: Access to Chiral Allylic Phosphine Oxides, published in 2021-12-20, which mentions a compound: 221012-82-4, Name is (R)-2,2′,6,6′-Tetramethoxy-4,4′-bis(diphenylphosphino)-3,3′-bipyridine, Molecular C38H34N2O4P2, Application of 221012-82-4.

A Pd-catalyzed hydrophosphinylation of alkyl and aryl-oxyallenes with phosphine oxides has been developed for the efficient and rapid construction of a family of chiral allylic phosphine oxides with a diverse range of functional groups. This methodol. was further applied in the facile construction of chiral 2H-chromene and later stage functionalization of cholesterol.

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The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 1-(Bromomethyl)-4-ethylbenzene(SMILESS: CCC1=CC=C(CBr)C=C1,cas:57825-30-6) is researched.Computed Properties of C16H16Cl2Cu2. The article 《Structure-based rational design, synthesis and antifungal activity of oxime-containing azole derivatives》 in relation to this compound, is published in Bioorganic & Medicinal Chemistry Letters. Let’s take a look at the latest research on this compound (cas:57825-30-6).

In an attempt to find novel azole antifungal agents with improved activity and broader spectrum, computer modeling was used to design a series of new azoles with piperidin-4-one O-substituted oxime side chains. Mol. docking studies revealed that they formed hydrophobic and hydrogen-bonding interactions with lanosterol 14α-demethylase of Candida albicans (CACYP51). In vitro antifungal assay indicates that most of the synthesized compounds showed good activity against tested fungal pathogens. In comparison with fluconazole, itraconazole and voriconazole, several compounds (such as I, R = H, 3-Cl, 2-F) show more potent antifungal activity and broader spectrum, suggesting that they are promising leads for the development of novel antifungal agents.

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Iglesias, M.; Gomez-Lor, B.; Santos, A. published the article 《Copper(I) complexes with the hexaazafulleroid C60(NR)6, derived from (2S,4S)-4-azido-1-benzyloxycarbonyl-2-(t-butylaminocarbonyl)pyrrolidine as multitopic ligand. Catalytic properties in oxidation of sulfides》. Keywords: copper hexaazafulleroid pyrrolidinecarboxamide preparation sulfide oxidation catalyst; pyrrolidinecarboxylate hexaazafulleroid copper preparation sulfide oxidation catalyst; azafulleroid pyrrolidinecarboxamide copper preparation sulfide oxidation catalyst; fulleroid pyrrolidinecarboxamide copper preparation sulfide oxidation catalyst; fullerene pyrrolidinecarboxamide copper preparation sulfide oxidation catalyst.They researched the compound: Chloro(1,5-cyclooctadiene)copper(I) dimer( cas:32717-95-6 ).Computed Properties of C16H16Cl2Cu2. 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:32717-95-6) here.

Reactions in a molar ratio 1:6 of the hexaazafulleroid C60(NR)6 (1), derived from the chiral azide (2S,4S)-4-azido-1-benzyloxycarbonyl-2-(t-butylaminocarbonyl)pyrrolidine (2), with the copper(I) complexes [Cu(MeCN)4]ClO4 and [CuCl(cod)]2 (cod = 1,5-cyclooctadiene) lead to the polymetalated species C60[(NR)Cu(MeCN)2(ClO4)]6 (3) and C60[(NR)CuCl(cod)]6·2CuCl (4), resp., which were characterized by IR, 1H- and 13C-NMR spectroscopies and by mass spectrometry techniques (ES-, FAB- and MALDI-MS). The performance of both complexes as catalysts in the oxidation of alkyl Ph sulfides [methyl Ph sulfide, (2-ethylbutyl) Ph sulfide] was evaluated.

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Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: (S)-Propane-1,2-diamine dihydrochloride, is researched, Molecular C3H12Cl2N2, CAS is 19777-66-3, about Topography of nucleic acid helices in solutions. IX. Models for the interactions of optically active diamines, amino acid amides, diamino acids, and lysyl dipeptides with nucleic acid systems.Quality Control of (S)-Propane-1,2-diamine dihydrochloride.

Mol. framework models of the complexes formed between the salts N+H3CHRCONHCH2CH2N+Me2N.2Br- (I), N+H3C(CO2-)H(CH2)nH+H3Cl- (n = 2, 3, and 4) (II), N+HEC[CH2]4N+H3]HCONHCHRCO2-Cl-, (III), and N+H3CHRCH2N+H3.2Cl- (R = Me and CO2H) (IV) and adjacent phosphate anions of a helical polynucleotide chain were examined in detail; 15-, 16-, 17-, and 18-membered rings are formed as the result of complexing the salts I-IV to the nucleic acid helix. Certain conformations are not as favorable as other. Moreover, it is possible to predict which of the two optical isomers of I-IV should interact to a greater extent with a nucleic acid helix. The results using 11 different sets of optical isomers of I-IV on three different helical structures, i.e., poly I-poly C, poly A-poly U, and calf thymus DNA, were predicted correctly and consistently.

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