Month: April 2022

Name: 3-Bromo-4-chloronitrobenzene. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 3-Bromo-4-chloronitrobenzene, is researched, Molecular C6H3BrClNO2, CAS is 16588-26-4, about GDC-0449-A potent inhibitor of the hedgehog pathway. Author is Robarge, Kirk D.; Brunton, Shirley A.; Castanedo, Georgette M.; Cui, Yong; Dina, Michael S.; Goldsmith, Richard; Gould, Stephen E.; Guichert, Oivin; Gunzner, Janet L.; Halladay, Jason; Jia, Wei; Khojasteh, Cyrus; Koehler, Michael F. T.; Kotkow, Karen; La, Hank; La Londe, Rebecca L.; Lau, Kevin; Lee, Leslie; Marshall, Derek; Marsters, James C.; Murray, Lesley J.; Qian, Changgeng; Rubin, Lee L.; Salphati, Laurent; Stanley, Mark S.; Stibbard, John H. A.; Sutherlin, Daniel P.; Ubhayaker, Savita; Wang, Shumei; Wong, Susan; Xie, Minli.

SAR for a wide variety of heterocyclic replacements for a benzimidazole led to the discovery of functionalized 2-pyridyl amides as novel inhibitors of the hedgehog pathway. The 2-pyridyl amides were optimized for potency, PK, and drug-like properties by modifications to the amide portion of the mol. resulting in I (GDC-0449). Amide I produced complete tumor regression at doses as low as 12.5 mg/kg BID in a medulloblastoma allograft mouse model that is wholly dependent on the Hh pathway for growth and is currently in human clin. trials, where it is initially being evaluated for the treatment of BCC.

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Formula: C8H12Cl2Pt. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: Dichloro(1,5-cyclooctadiene)platinum(II), is researched, Molecular C8H12Cl2Pt, CAS is 12080-32-9, about Ditopic dithiocarbamate ligands for the production of trinuclear species. Author is Marin-Carrillo, Edgar; Ruiz-Martinez, Adrian; Valdes, Hugo; Reyes-Martinez, Reyna; Hernandez-Ortega, Simon; Adriana Aguilar-Castillo, Bethsy; Morales-Morales, David.

Reactions of group 10 transition metals with the ditopic ligand dipicolyldithiocarbamate (DPDTC) were performed. Thus, 1:2 reactions of [Ni(CH3COO)2], [Pd(COD)Cl2] or [Pt(COD)Cl2] with DPDTC produced monomeric complexes of the type [M(κ2-SCS-DPDTC)2, M = Ni (1), Pd (2) or Pt (3)] with the dithiocarbamate ligand (DTC) coordinated in a typical chelate κ2-SCS fashion. Interestingly, the reaction of [NiCl2] with DPDTC, under similar conditions, afforded the organic compound 2-(pyridin-2-ylmethyl)imidazo[1,5-a]pyri-dine-3(2 H)-thione (4) as unique product. In order to prove the ditopic nature of the ligand DPDTC, complex [Pd(κ2-SCS-DPDTC)2] (2) was further reacted with [ZnCl2] in a 1:2 M ratio to yield the trinuclear complex [Cl2Zn(κ2-NN-DPDTC-SCS-κ2)Pd(κ2-SCS-DPDTC-NN-κ2)ZnCl2] (5). The mol. structures of all compounds were determinate by typical anal. techniques including the unequivocal determination of all structures by single crystal x-ray diffraction anal. As expected, complexes 1-3 are isostructural, and the metal centers exhibiting slightly distorted square-planar geometries. While in 5, the trinuclear nature of the complex in confirmed exhibiting a nice combination of tetrahedral-square planar-tetrahedral geometries for the Zn-Pd-Zn centers resp.

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Safety of Dichloro(1,5-cyclooctadiene)platinum(II). 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: Dichloro(1,5-cyclooctadiene)platinum(II), is researched, Molecular C8H12Cl2Pt, CAS is 12080-32-9, about Roles played by carbene substituents during ligand transfer reactions between tungsten fischer carbene complexes and [Pt(COD)Cl2]. Author is Weststrate, Nora-ann; Hassenruck, Christopher; Liles, David C.; Lotz, Simon; Gorls, Helmar; Winter, Rainer F..

Fischer carbene ligand transfer reactions from [W{C(X)(C6H4-4-R)}(CO)5] (X = OEt: a series; X = NMe2: b series), containing remote tertiary amino substituents R = R’2N at the Ph ring, to Pt(II) of [Pt(COD)Cl2] precursors, were studied. The number of carbene ligands transferred per Pt ion in these cases are determined by the electronic and steric properties of the heteroatoms of the carbene ligand. Thus, neutral bis(carbene) complexes, [Pt{C(X)(C6H4-4-R)}2Cl2], (R = H (1a); R = NR’2 and R’ = Me (2a), Ph (3a), or 4-BrC6H4 (4a)), are formed from the ethoxycarbene precursors (X = OEt), while cationic tris(carbene) complexes [Pt{C(X)(C6H4-4-R)}3Cl]+ Z-, (R = H (1b) and R = NR’2 and R’ = Me (2b), Ph (3b), or 4-BrC6H4 (4b)) were obtained from the aminocarbene precursors (X = NMe2), the latter with different counterions Z- = Cl-, [W(CO)5Cl]- or PF-6. Electro- and spectroelectrochem. studies indicate consecutive oxidations of the individual carbene ligands, but also a lack of electronic interactions across the (X)C:Pt:C(X) linkages.

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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.Belova, N. A.; Suvorov, B. V.; Kagarlitskii, A. D. researched the compound: Pyridine-3,5-dicarbonitrile( cas:1195-58-0 ).Related Products of 1195-58-0.They published the article 《Oxidative ammonolysis of 3,5-lutidine on vanadium oxide contacts modified by additives of tin and titanium oxides》 about this compound( cas:1195-58-0 ) in Izvestiya Akademii Nauk Kazakhskoi SSR, Seriya Khimicheskaya. Keywords: lutidine ammoxidation metal oxide; vanadium oxide ammoxidation lutidine; tin oxide ammoxidation lutidine; titanium oxide ammoxidation lutidine. We’ll tell you more about this compound (cas:1195-58-0).

Ammoxidation of 3,5-lutidine on the title catalysts at 340-420° gave 5-methylnicotinonitrile (I) and 3,5-pyridinedicarbonitrile (II) in yields as high as 85 and 65%, resp. At the lower temperatures and contact times, II was formed sequentially via I, but under the more drastic conditions II could also be formed directly from 3,5-lutidine.

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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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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 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.

Compound(1195-58-0)Related Products of 1195-58-0 received a lot of attention, and I have introduced some compounds in other articles, similar to this compound(Pyridine-3,5-dicarbonitrile), if you are interested, you can check out my other related articles.

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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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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 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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