Category: alcohols-buliding-blocks

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: 12080-32-9, is researched, Molecular C8H12Cl2Pt, about C,C coordination mode in comparison with C,P coordination mode in six and seven pallada- and platinacycle complexes of phosphorous ylide; synthesis, X-ray and theoretical studies, the main research direction is coordination mode six seven palladacycle platinacycle complex phosphorus ylide; crystal structure mol optimized palladacycle platinacycle phosphorus ylide; six seven membered palladacycle platinacycle phosphorus ylide preparation energy.Synthetic Route of C8H12Cl2Pt.

New sym. [p-CN-C6H4C(O)CH2PPh2(CH2)2PPh2CH2C(O)C6H4-p-CN]Br2(1) and unsym. [PPh2(CH2)2PPh2CH2C(O)C6H4-p-CN]Br (2) phosphonium salts were prepared by reacting Bis(diphenylphosphino)ethane (dppe) with p-CN-C6H4C(O)CH2Br in acetone, in 1:2 and 1:1 ratios, resp. Treatment of these salts with an appropriate alkali led to sym. p-CN-C6H4C(O)C(H)PPh2(CH2)2PPh2C(H)C(O)C6H4-p-CN (3) and unsym. PPh2(CH2)2PPh2C(H)C(O)C6H4-p-CN (4) ylides. The reaction of 3 and 4 with [MCl2(cod)] (M = Pd or Pt; cod = 1,5-cyclooctadiene) in 1:1 ratio, using dichloromethane as a solvent, led to mononuclear seven membered metallocyclic ring complexes [MCl2(p-CN-C6H4C(O)C(H)PPh2(CH2)2PPh2C(H)C(O)C6H4-p-CN)] (M = Pd (5) and Pt (6), having C,C coordination mode) and mononuclear six membered ring complexes [MCl2(PPh2(CH2)2PPh2C(H)C(O)C6H4-p-CN)] (M = Pd (7) and Pt (8), having P,C coordination mode), resp. Characterization of the resulting compounds were performed by elemental anal., IR, 1H,13C and 31P NMR spectroscopic methods. As well, the unequivocal structure of compound 5 (seven membered pallada-cycle complex) was characterized crystallog. In the sym. complexes, with seven membered metallocyclic rings, the title ylide is coordinated to the metal through two ylidic carbon atoms. Using theor. methods, D.-function theory (DFT) calculations at the BP86/def2-SVP level of theory, the structures of the unsym. six membered pallada- and platinacyclic complexes were compared with the structures of the sym. seven membered pallada- and platinacyclic complexes. The strength and nature of donor-acceptor bonds between the phosphorus ylide (Y ligand) and MCl2 fragments in the [YMCl2] M = Pd, Pt, Y = p-CN-C6H4C(O)C(H)PPh2(CH2)2PPh2C(H)C(O)C6H4-p-CN,PPh2(CH2)nPPh2C(H)C(O)C6H4-p-CN, n = 1-2, were carried out by Natural bond orbital anal. (NBO) and energy-decomposition anal. (EDA) as well as their natural orbitals for chem. valence (NOCV) variations.

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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: Dichloro(1,5-cyclooctadiene)platinum(II), is researched, Molecular C8H12Cl2Pt, CAS is 12080-32-9, about Platinum ω-Alkenyl Compounds as Chemical Vapor Deposition Precursors: Synthesis and Characterization of Pt[CH2CMe2CH2CH:CH2]2 and the Impact of Ligand Design on the Deposition Process, the main research direction is platinum alkenyl complex preparation MOCVD crystal mol structure; butenyl pentenyl hexenyl platinum complex preparation crystal mol structure.Reference of Dichloro(1,5-cyclooctadiene)platinum(II).

authors describe the synthesis and characterization of three platinum(II) ω-alkenyl complexes of stoichiometry Pt[CH2CMe2(CH2)xCH:CH2]2 where x is 0, 1, or 2, as well as some related platinum(II) compounds formed as byproducts during their synthesis. The ω-alkenyl ligands in all three complexes, cis-bis(η1,η2-2,2-dimethylbut-3-en-1-yl)platinum (2), cis-bis(η1,η2-2,2-dimethylpent-4-en-1-yl)platinum (3), and cis-bis(η1,η2-2,2-dimethylhex-5-en-1-yl)platinum (4), bind to Pt by a Pt-alkyl sigma bond at one end of the ligand chain and a Pt-olefin pi interaction at the other; the olefins reversibly decomplex from the Pt centers in solution The good volatility of 3 (10 mTorr at 20°), its ability to be stored for long periods without decomposition, and its stability toward air and moisture make it an attractive platinum chem. vapor deposition (CVD) precursor. CVD of thin films from 3 shows no nucleation delay on several different substrates (SiO2/Si, Al2O3, and VN) and gives films that are unusually smooth. At 330° in the absence of a reactive gas, the precursor deposits platinum containing 50% carbon, but in the presence of a remote oxygen plasma, the amount of carbon is reduced to below the Rutherford backscattering spectroscopy (RBS) detection limit without affecting the film smoothness. Under hot wall CVD conditions at 250° in the absence of a co-reactant, 72% of the carbon atoms in 3 are released as hydrogenated products (largely 4,4-dimethylpentenes), 22% are released as dehydrogenated products (all of which are the result of skeletal rearrangements), and 6% remain in the film. Some conclusions about the CVD mechanism are drawn from this product distribution.

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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: 651780-02-8, is researched, SMILESS is CC(C)(C)OC(=O)N1N=CC2=CC(Br)=CC=C12, Molecular C12H13BrN2O2Journal, Article, Research Support, Non-U.S. Gov’t, Organic Letters called Fluorination of Boronic Acids Mediated by Silver(I) Triflate, Author is Furuya, Takeru; Ritter, Tobias, the main research direction is fluoroarene preparation; fluorination boronic acid aryl alkenyl silver mediated regiospecific; silver mediated regiospecific fluorination boronic acid aryl alkenyl.Name: tert-Butyl 5-bromo-1H-indazole-1-carboxylate.

A regiospecific Ag-mediated fluorination reaction of aryl- and alkenylboronic acids and esters is reported. The fluorination reaction uses com. available reagents, does not require the addition of exogenous ligands, and can be performed on a multigram scale. This report discloses the first practical reaction sequence from arylboronic acid to aryl fluorides.

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Dihydropyridines. XII. Electronic structure and reactivity of monocyanopyridines and symmetric dicyanopyridines》. Authors are Kuthan, J..The article about the compound:Pyridine-3,5-dicarbonitrilecas:1195-58-0,SMILESS:N#CC1=CC(C#N)=CN=C1).SDS of cas: 1195-58-0. Through the article, more information about this compound (cas:1195-58-0) is conveyed.

cf. CA 65, 3828a. The electronic structure of 2-cyanopyridine, 3-cyanopyridine, 4-cyanopyridine, 2,6-dicyanopyridine, and 3,5-dicyanopyridine were studied by means of the simple mol. orbital theory (HMO). The reactivity of these compounds toward nucleophilic reagents is discussed with respect to possible formation of corresponding dihydro derivatives or products with transformed functional groups. Ir, N.M.R., and uv spectra of the compounds studied are compared with the calculated values for the bond orders, π-electron densities, and with the theoretical excitation energies. Bond orders and π-electron densities as calculated on the basis of HMO-approximation are correlated with analogous data obtained by the self-consistent-field method.

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Dihydropyridines. V. Formation of the isomeric 1,2- and 1,4-dihydro derivatives in the reaction of methylmagnesinm iodide with 3,5-dicyanopyridine and 3,5-dicyano-2-methylpyridine》. Authors are Kuthan, J.; Janeckova, E.; Havel, M..The article about the compound:Pyridine-3,5-dicarbonitrilecas:1195-58-0,SMILESS:N#CC1=CC(C#N)=CN=C1).Related Products of 1195-58-0. Through the article, more information about this compound (cas:1195-58-0) is conveyed.

cf. CA 58, 5626a. MeMgI adds to 3,5-dicyanopyridine (I) to give 3,5-dicyano-2-methyl-1,2-dihydropyridine (II) and 3,5-dicyano-4-methyl-1,4-dihydropyridine (III). Similarly, 3,5-dicyano-2-methylpyridine (IV) forms 3,5-dicyano-2,6-dimethyl-1,2-dihydropyridine (V) and 3,5-dicyano-2,4-dimethyl-1,4-dihydropyridine (VI), resp. Nicotinoyl chloride-HCl (from 500 g. nicotinoic acid and 1400 ml. SOCl2) refluxed 35 hrs. with 500 ml. Br, the mixture evaporated on a steam bath, the residue dissolved in 1 l. absolute EtOH, and the solution heated 30 min. on a steam bath gave 81% HBr salt of Et 5-bromonicotinate, m. 147-7.5° (EtOH), from which 80% Et 5-bromonicotinate (VII), b0.5 86-92°, m. 42°, was obtained by treatment with Na2CO3. VII (50 g.) stirred with 30 g. CuCN in 50 ml. HCONMe2 2 hrs. at 160-75°, the mixt evaporated in vacuo, and the residue shaken with 500 ml. concentrated NH4OH and extracted successively with 800 ml. C6H6 and 200 ml. Et2O gave after evaporation 45% Et 5-cyanonicotinate (VIII), b16 143-5°, m. 89-90° (petr. ether). VIII (50 g.) in 1 l. absolute EtOH saturated with NH3 kept 7 days at room temperature gave 72% 5-cyanonicotinamide (IX), m. 220-1° (H2O, EtOH). A mixture of 14 g. IX and 40 ml. anhydrous C5H5N treated over 15 min. with 9 ml. POCl3, stirred 8 hrs., decomposed with ice, alkalized with NH4OH, and extracted with CHCl3 gave 64% I, m. 113-13.5° (dilute EtOH), sublimed 80-90°/10 mm. K salt of 2-hydroxy-3,5-dicyano-6-methylpyridine (6.07 g.) and 7 g. PCl5 treated with 10 ml. POCl3, and the mixture refluxed 30 min., evaporated in vacuo, decomposed with ice, and extracted with C6H6 gave 35% 3,5-dicyano-2-chloro-6-methylpyridine, m. 143-3.5°, which gave IV, m. 76-7°, on catalytic hydrogenation. Reaction of 1.04 g. I in 70 ml. Et2O with MeMgI (from 0.8 g. Mg, 2 ml. MeI, and 30 ml. Et2O) followed by chromatography on Al2O3 (activity II) gave 512 mg. yellow II, m. 114-15° (C6H6, dilute EtOH), and 240 mg. yellowish III, m. 180.5-81° (dilute EtOH). Similarly, 670 mg. IV with MeMgI (from 0.72 g. Mg, 1.9 ml. MeI, and 25 ml. Et2O) afforded 405 mg. yellow V, m. 152-3° (dilute MeOH), and 138 mg. yellowish VI, m. 129.5-30.5°. Dehydrogenation of II, III, V, and VI by heating with equal amounts 30% Pd-C 20 min. at 200-5° gave IV, 3,5-dicyano-4-methylpyridine, m. 84.5-85°, 3,5-dicyano-2,6-dimethylpyridine, m. 118-18.5°, and 3,5-dicyano-2,4-dimethylpyridine, m. 115-15.5°, resp. Ultraviolet and infrared data for II, III, V, and VI, and of some of the intermediates, are given.

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Application In Synthesis of 3-Bromo-4-chloronitrobenzene. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 3-Bromo-4-chloronitrobenzene, is researched, Molecular C6H3BrClNO2, CAS is 16588-26-4, about Acid- and base-dependent hydrolysis of N-(sulfonatooxy)-3-bromoacetanilide: involvement of N-(3-bromophenyl)hydroxylamine O-sulfonate. Author is Novak, Michael; Rovin, Lise H.; Pelecanou, Maria; Mulero, Julio J.; Lagerman, Robert K..

The title compound (I) undergoes hydrolysis at 80° and pH 1.0-8.0 by acid- and base-dependent processes and by an uncatalyzed path. The uncatalyzed reaction exhibits the same characteristics as the uncatalyzed N-O bond-cleavage reactions of the more reactive N-(sulfonatooxy)acetanilides. The pH-dependent paths involve the hydrolysis of I to form N-(3-bromophenyl)hydroxylamine O-sulfonate (II). II cannot be directly detected under the conditions of this study, but its existence can be inferred from product study and trapping data. Although II undergoes decomposition entirely by heterolytic N-O bond cleavage to yield m-BrC6H4N+H (III), a less reactive analog of II, i.e., N-(3-bromophenyl)-O-pivaloylhydroxylamine (IV), apparently undergoes competitive homolytic and heterolytic N-O bond cleavage to yield both m-NHC6H4Br radical and III. Both II and IV serve as models for certain suspected carcinogenic metabolites of polycyclic aromatic amines and amides.

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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: Dichloro(1,5-cyclooctadiene)platinum(II), is researched, Molecular C8H12Cl2Pt, CAS is 12080-32-9, about Thermodynamics of adsorption of carbon dioxide on different metal oxides at temperatures from 313 to 353 K and pressures up to 25 MPa, the main research direction is carbon dioxide thermodn adsorption metal oxide temperature pressure.Formula: C8H12Cl2Pt.

This paper presents adsorption isotherm data of CO2 on four different metal oxides. Absolute adsorption isotherms of CO2 at 313 K on WO3 and at T = 313 K, 333 K, 353 K on CeO2, TiO2 and Al2O3 and pressures up to p = 25 MPa were determined from CO2 excess adsorption isotherms. It was found at 313 K a maximum absolute loading of 0.3 mmol g-1 for WO3, of 1.7 mmol g-1 for CeO2, of 3.1 mmol g-1 for TiO2 and of 6.3 mmol g-1 for Al2O3. All adsorption isotherms were fitted to the Freundlich, Langmuir, Pade, Sips and Toth models and the Pade model present a better fitting than the other models. Based on these data, the Pade and the Langmuir model were used to determine the isosteric enthalpy of adsorption which was found to be dependent on the loading and the used model.

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Recommanded Product: 7661-33-8. 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: 1-(4-Chlorophenyl)pyrrolidin-2-one, is researched, Molecular C10H10ClNO, CAS is 7661-33-8, about Facile CuI-catalyzed arylation of azoles and amides using simple enaminones as efficient ligands. Author is Cheng, Cungui; Sun, Gonglei; Wan, Jieping; Sun, Cuirong.

(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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Deziel, Anthony P.; Hoffbauer, Melissa R.; Iluc, Vlad M. published the article 《Square Planar Nucleophilic and Radical Pt(II) Carbenes》. Keywords: planar nucleophilic radical platinum carbene preparation crystal mol structure; crystal mol structure planar nucleophilic radical platinum carbene complex; phosphinophenylmethylene platinum carbene complex preparation mol structure calculation.They researched the compound: Dichloro(1,5-cyclooctadiene)platinum(II)( cas:12080-32-9 ).Synthetic Route of C8H12Cl2Pt. 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:12080-32-9) here.

A square planar platinum(II) carbene complex [{PC(sp2)P}HPt(PMe3)] ([PC(sp2)P]H = (bis[2-(di-iso-propylphosphino)phenyl]methylene)) was synthesized through the dehydrohalogenation of [{PC(sp3)HP}HPtCl] in a microwave reactor. The tert-Bu substituted analog, [{PC(sp2)P}tBuPt(PMe3)] ([PC(sp2)P]tBu = bis[2-(di-iso-propylphosphino)-4-tert-butylphenyl]methylene), was synthesized via an analogous route. The nucleophilic nature of the carbene carbon was confirmed through DFT calculations and reactivity with HCl. Addnl., [{PC(sp2)P}HPt(PMe3)] was treated with 0.5 equiv of I2 to generate a paramagnetic product, [{PC(sp2)P}HPtI]. The Evans method and EPR spectroscopy revealed that a one-electron oxidation occurred at the carbene carbon, thus generating a persistent radical carbene.

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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: 12080-32-9, is researched, Molecular C8H12Cl2Pt, about Platinum ω-Alkenyl Compounds as Chemical Vapor Deposition Precursors: Synthesis and Characterization of Pt[CH2CMe2CH2CH:CH2]2 and the Impact of Ligand Design on the Deposition Process, the main research direction is platinum alkenyl complex preparation MOCVD crystal mol structure; butenyl pentenyl hexenyl platinum complex preparation crystal mol structure.Name: Dichloro(1,5-cyclooctadiene)platinum(II).

authors describe the synthesis and characterization of three platinum(II) ω-alkenyl complexes of stoichiometry Pt[CH2CMe2(CH2)xCH:CH2]2 where x is 0, 1, or 2, as well as some related platinum(II) compounds formed as byproducts during their synthesis. The ω-alkenyl ligands in all three complexes, cis-bis(η1,η2-2,2-dimethylbut-3-en-1-yl)platinum (2), cis-bis(η1,η2-2,2-dimethylpent-4-en-1-yl)platinum (3), and cis-bis(η1,η2-2,2-dimethylhex-5-en-1-yl)platinum (4), bind to Pt by a Pt-alkyl sigma bond at one end of the ligand chain and a Pt-olefin pi interaction at the other; the olefins reversibly decomplex from the Pt centers in solution The good volatility of 3 (10 mTorr at 20°), its ability to be stored for long periods without decomposition, and its stability toward air and moisture make it an attractive platinum chem. vapor deposition (CVD) precursor. CVD of thin films from 3 shows no nucleation delay on several different substrates (SiO2/Si, Al2O3, and VN) and gives films that are unusually smooth. At 330° in the absence of a reactive gas, the precursor deposits platinum containing 50% carbon, but in the presence of a remote oxygen plasma, the amount of carbon is reduced to below the Rutherford backscattering spectroscopy (RBS) detection limit without affecting the film smoothness. Under hot wall CVD conditions at 250° in the absence of a co-reactant, 72% of the carbon atoms in 3 are released as hydrogenated products (largely 4,4-dimethylpentenes), 22% are released as dehydrogenated products (all of which are the result of skeletal rearrangements), and 6% remain in the film. Some conclusions about the CVD mechanism are drawn from this product distribution.

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