4-chlorophenyl 3-nitrobenzoate | 23290-67-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 4-chlorophenyl 3-nitrobenzoate
• 英文别名: 3-nitro-benzoic acid-(4-chloro-phenyl ester)；3-Nitro-benzoesaeure-(4-chlor-phenylester)；m-Nitrobenzoesaeure-p-chlor-phenylester；m-Nitrobenzoesaeure-p-chlorphenylester；4-Chlorphenyl-3-nitrobenzoat；(4-chlorophenyl) 3-nitrobenzoate
• CAS: 23290-67-7
• 化学式: C₁₃H₈ClNO₄
• mdl: MFCD00430456
• 分子量: 277.664
• InChiKey: JJZQXSGBDAZTLZ-UHFFFAOYSA-N

物化性质

• 沸点：
  422.1±30.0 °C(Predicted)
• 密度：
  1.412±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-chlorophenyl 3-nitrobenzoate 、 甲苯 、 三氯化铝 生成 (3-nitrophenyl)(p-tolyl)methanone
  参考文献：
  名称：

  YAMAMOTO, JIRO;NAKANE, ISAO;NAKASHIMA, MITSUHARU;ASANO, MITSUHIRO;AKAMATS+, NIPPON KAGAKU KAJSI,(1989) N, S. 1587-1592

  摘要：

  DOI：
• 作为产物：
  描述：

  间硝基苯甲酸 在 氯化亚砜 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 34.5h， 生成 4-chlorophenyl 3-nitrobenzoate
  参考文献：
  名称：

  Kinetics of the reaction of 4-nitrophenyl benzoates with 4-chlorophenol in the presence of potassium carbonate in dimethylformamide

  摘要：

  The effect of the substituent in the benzoyl group on the relative rate and activation parameters of transesterification of substituted 4-nitrophenyl benzoates with 4-chlorophenol in dimethylformamide in the presence of potassium carbonate was studied by the competing reaction technique. The whole series of benzoates showed the enthalpy-entropy compensation effect. 4-Nitrophenyl benzoates having electron-acceptor substituents give rise to isokinetic relationship with an isokinetic temperature beta of 382 K. The mechanism of the transesterification process is discussed.

  DOI：

  10.1134/s1070428006060091

文献信息

• YAMAMOTO, JIRO;NAKANE, ISAO;NAKASHIMA, MITSUHARU;ASANO, MITSUHIRO;AKAMATS+, NIPPON KAGAKU KAJSI,(1989) N, S. 1587-1592
  作者：YAMAMOTO, JIRO、NAKANE, ISAO、NAKASHIMA, MITSUHARU、ASANO, MITSUHIRO、AKAMATS+

  DOI：——

  日期：——
• Kinetics of the reaction of 4-nitrophenyl benzoates with 4-chlorophenol in the presence of potassium carbonate in dimethylformamide
  作者：I. A. Os’kina、V. M. Vlasov

  DOI：10.1134/s1070428006060091

  日期：2006.6

  The effect of the substituent in the benzoyl group on the relative rate and activation parameters of transesterification of substituted 4-nitrophenyl benzoates with 4-chlorophenol in dimethylformamide in the presence of potassium carbonate was studied by the competing reaction technique. The whole series of benzoates showed the enthalpy-entropy compensation effect. 4-Nitrophenyl benzoates having electron-acceptor substituents give rise to isokinetic relationship with an isokinetic temperature beta of 382 K. The mechanism of the transesterification process is discussed.