3,3,5-triphenyl-3H-pyrazole-4-carboxylic acid ethyl ester | 54799-82-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,3,5-triphenyl-3H-pyrazole-4-carboxylic acid ethyl ester
• 英文别名: Ethyl 3,3,5-triphenyl-3H-pyrazole-4-carboxylate；ethyl 3,3,5-triphenylpyrazole-4-carboxylate
• CAS: 54799-82-5
• 化学式: C₂₄H₂₀N₂O₂
• 分子量: 368.435
• InChiKey: YTKAGZHXDDYIRZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  51
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  苯丙炔酸乙酯 、 二苯基重氮甲烷 以 正辛烷 为溶剂， 生成 3,3,5-triphenyl-3H-pyrazole-4-carboxylic acid ethyl ester
  参考文献：
  名称：

  Acceleration of Bimolecular Reactions by Solvent Viscosity

  摘要：

  We report the first example of acceleration of a bimolecular reaction by increased solvent viscosity. In a series of hydrocarbon solvents of graded viscosity, the rates of two cycloadditions, the Diels-Alder dimerization of cyclopentadiene and the 1,3-dipolar cycloaddition of diphenyldiazomethane with ethyl phenylpropiolate, rise with increasing viscosity to about 1 cP and then fall thereafter. We interpret this rise as viscosity-induced acceleration up to similar to 1 cP, which cannot be accounted for by current kinetic theory. Several examples from the literature are reinterpreted in these terms, providing further support for our concept.

  DOI：

  10.1021/jp991066n

文献信息

• Acceleration of Bimolecular Reactions by Solvent Viscosity
  作者：Kevin A. Swiss、Raymond A. Firestone

  DOI：10.1021/jp991066n

  日期：1999.7.1

  We report the first example of acceleration of a bimolecular reaction by increased solvent viscosity. In a series of hydrocarbon solvents of graded viscosity, the rates of two cycloadditions, the Diels-Alder dimerization of cyclopentadiene and the 1,3-dipolar cycloaddition of diphenyldiazomethane with ethyl phenylpropiolate, rise with increasing viscosity to about 1 cP and then fall thereafter. We interpret this rise as viscosity-induced acceleration up to similar to 1 cP, which cannot be accounted for by current kinetic theory. Several examples from the literature are reinterpreted in these terms, providing further support for our concept.