4-chlorobutyric acid 2-(4-chlorobutyryloxy)phenyl ester | 1212057-27-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 4-chlorobutyric acid 2-(4-chlorobutyryloxy)phenyl ester
• 英文别名: 4-chlorobutyric acid 1,2-phenylene ester；[2-(4-Chlorobutanoyloxy)phenyl] 4-chlorobutanoate；[2-(4-chlorobutanoyloxy)phenyl] 4-chlorobutanoate
• CAS: 1212057-27-6
• 化学式: C₁₄H₁₆Cl₂O₄
• 分子量: 319.185
• InChiKey: RNUNACOPKUSUKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  20
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  邻苯二酚 、 4-氯丁酰氯 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 0.08h， 以96%的产率得到4-chlorobutyric acid 2-(4-chlorobutyryloxy)phenyl ester
  参考文献：
  名称：

  Zbancioc, Gheorghita N.; Zbancioc, Ana Maria V.; Mangalagiu, Ionel I., Revue Roumaine de Chimie, 2010, vol. 55, # 2, p. 117 - 122

  摘要：

  DOI：

文献信息

• Environmentally Friendly Methods for Syntheses of New Aromatic Bisesters
  作者：Gheorghita N. Zbancioc、Ana Maria V. Zbancioc、Ionel I. Mangalagiu

  DOI：10.1080/00397910903219609

  日期：2010.7.12

  Two environmentally friendly methods, one in liquid and the other in solid phase, for preparation of phenyl bisesters (bearing alkylating groups) under microwave (MW) irradiation are presented. The MW remarkably enhanced the rate of acceleration for esterification: the reaction time decreased dramatically, the reaction conditions are milder, and the consumed energy decreased considerably. In the most cases, in the liquid phase under MW irradiation, the yields are better, in some cases substantially (almost 75%). In the solid phase under MW irradiation, the yields are moderate to good compared to the liquid phase but excellent compared to conventional heating. Both methods are fast, general, and facile, but because the solid-phase reactions are solvent-free, we consider this one to be the most suitable for synthetic chemistry. A comparative study of MW and conventional heating was done.
• Zbancioc, Gheorghita N.; Zbancioc, Ana Maria V.; Mangalagiu, Ionel I., Revue Roumaine de Chimie, 2010, vol. 55, # 2, p. 117 - 122
  作者：Zbancioc, Gheorghita N.、Zbancioc, Ana Maria V.、Mangalagiu, Ionel I.

  DOI：——

  日期：——