Hexamethyl ester of 1-bromopropane-1,1,2,2,3,3-hexacarboxylic acid | 133455-79-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Hexamethyl ester of 1-bromopropane-1,1,2,2,3,3-hexacarboxylic acid
• 英文别名: Hexamethyl 1-bromopropane-1,1,2,2,3,3-hexacarboxylate
• CAS: 133455-79-5
• 化学式: C₁₅H₁₉BrO₁₂
• 分子量: 471.213
• InChiKey: BFUOWSMICBSCCP-UHFFFAOYSA-N

物化性质

• 熔点：
  179-180 °C(Solv: 3-pentanone (96-22-0))
• 沸点：
  488.2±45.0 °C(Predicted)
• 密度：
  1.516±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  28
• 可旋转键数：
  14
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  158
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  propane-1,1,2,2,3,3-hexacarboxylic acid hexamethyl ester 在 sodium bromide 作用下， 以 甲醇 为溶剂， 以24%的产率得到1,1,2,2,3,3-环丙烷六羧酸六甲酯
  参考文献：
  名称：

  Electrochemical cyclization of tetramethyl esters of 2-substituted propane-1,1,3,3-tetracarboxylic acids in the presence of salts of hydrohalic acids

  摘要：

  The chemical and electrochemical cyclization of tetramethyl esters of 2-substituted propane-1,1,3,3-tetracarboxylic acids in the presence of hydrohalic acid salt mediators were studied. It was found that the chemical variant of the cyclization of the corresponding alpha,alpha'-dianions of esters of propane-1,1,3,3-tetracarboxylic acids by the action of iodine or bromine is substantially inferior to the electrochemical variant. In the latter case, the esters of substituted cyclopropane-1,1,2,2-tetracarboxylic acids are formed in a 87-98% yield. The tetramethyl ester of 2-isopropylpropane-1,1,3,3-tetracarboxylic acid, which under the electrolysis conditions decomposes according to a Michael retroreaction is an exception.

  DOI：

  10.1007/bf01184531

文献信息

• EHLINSON, M. N.;FEDUKOVICH, S. K.;NIKISHIN, G. I., IZV. AN CCCP. CEP. XIM.,(1990) N2, S. 2783-2789
  作者：EHLINSON, M. N.、FEDUKOVICH, S. K.、NIKISHIN, G. I.

  DOI：——

  日期：——