丙炔
丙炔结构式
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常用名 | 丙炔 | 英文名 | Propyne |
|---|---|---|---|---|
| CAS号 | 74-99-7 | 分子量 | 40.06390 | |
| 密度 | 0.648 g/cm3 | 沸点 | −23.2 °C(lit.) | |
| 分子式 | C3H4 | 熔点 | −102.7 °C(lit.) | |
| MSDS | 中文版 美版 | 闪点 | -51 °C | |
| 符号 |
GHS02, GHS04, GHS07 |
信号词 | Danger |
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Synthesis and structure-activity relationship studies of 1,3-diarylprop-2-yn-1-ones: dual inhibitors of cyclooxygenases and lipoxygenases.
J. Med. Chem. 49 , 1668-83, (2006) A group of 1,3-diarylprop-2-yn-1-ones (13, 17, 23, 26 and 27) possessing a C-3 p-SO2Me COX-2 pharmacophore were designed, synthesized and evaluated as potential dual inhibitors of cyclooxygenase-1/2 (COX-1/2) and 5/15-lipoxygenases (5/15-LOX) that exhibit viv... |
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Synthesis and biological evaluation of 1,3-diphenylprop-2-yn-1-ones as dual inhibitors of cyclooxygenases and lipoxygenases.
Bioorg. Med. Chem. Lett. 15 , 4842-5, (2005) A new class of 1,3-diphenylprop-2-yn-1-ones possessing a p-MeSO2 COX-2 phamacophore on the C-3 phenyl ring was designed for evaluation as dual inhibitors of cyclooxygenase (COX) and lipoxygenase (LOX). Among the group of compounds evaluated, 1-(4-fluorophenyl... |
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Indene formation under single-collision conditions from the reaction of phenyl radicals with allene and methylacetylene--a crossed molecular beam and ab initio study.
Chem. Asian J. 6(11) , 3035-47, (2011) Polycyclic aromatic hydrocarbons (PAHs) are regarded as key intermediates in the molecular growth process that forms soot from incomplete fossil fuel combustion. Although heavily researched, the reaction mechanisms for PAH formation have only been investigate... |
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Theoretical study on the reaction mechanism of VO2+ with propyne in gas phase.
J. Phys. Chem. A 112(8) , 1808-16, (2008) Possible molecular mechanisms of the gas-phase ion/molecule reaction of VO2+ in its lowest singlet and triplet states (1A1/3A' ') with propyne have been investigated theoretically by density functional theory (DFT) methods. The geometries, energetic values, a... |
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Configurational assignment of carbon, silicon and germanium containing propynal oximes by means of 13C-1H, 13C-13C and 15N-1H spin-spin coupling constants.
Magn. Reson. Chem. 45(8) , 661-6, (2007) Configurational assignment of five carbon, silicon and germanium containing propynal oximes has been carried out by means of experimental measurements and high-level ab initio calculations of their 13C-1H, 13C-13C and 15N-1H spin-spin coupling constants. The ... |
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A crossed molecular beam study on the reaction of boron atoms with methylacetylene and partially deuterated methylacetylene.
ChemPhysChem 9(1) , 95-105, (2008) The reactions of ground-state boron atoms, B((2)P(j)), with methylacetylene, CH3CCH(X(1)A(1)), and its [D3]-substituted isotopomer, CD3CCH(X(1)A(1)), are studied under single collision conditions using the crossed molecular beam technique at collision energie... |
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Determining the origin of the stabilization of DNA by 5-aminopropynylation of pyrimidines.
Biochemistry 44(12) , 4710-9, (2005) DNA duplexes are stabilized by aminopropynyl modification of pyrimidines at the 5 position. A combination of thermodynamic analyses as a function of ionic strength, NMR, and molecular modeling has been applied to determine the origin of the stabilization. UV ... |
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Mechanism of methylacetylene bisselenation catalyzed by palladium complex from density functional study.
J. Comput. Chem. 32(6) , 1170-7, (2011) The reaction mechanism of Pd(0)-catalyzed methylacetylene bisselenation reaction is investigated by using the density functional method. The overall reaction mechanism involves the oxidative addition, insertion, and reductive elimination steps. The regioselec... |
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An improved system for exposure of cultured mammalian cells to gaseous compounds in the chromosomal aberration assay.
Mutat. Res. 652(2) , 122-30, (2008) A gas exposure system using rotating vessels was improved for exposure of cultured mammalian cells to gaseous compounds in the chromosomal aberration assay. This system was composed of 12 square culture vessels, a device for preparation of air containing test... |
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Theoretical mechanistic study of the reaction of the methylidyne radical with methylacetylene.
J. Mol. Model. 17(12) , 3173-81, (2011) A detailed doublet potential energy surface for the reaction of CH with CH(3)CCH is investigated at the B3LYP/6-311G(d,p) and G3B3 (single-point) levels. Various possible reaction pathways are probed. It is shown that the reaction is initiated by the addition... |