methyl 3,3,4,4,4-pentachlorobutanoate | 521080-91-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: methyl 3,3,4,4,4-pentachlorobutanoate
• CAS: 521080-91-1
• 化学式: C₅H₅Cl₅O₂
• 分子量: 274.358
• InChiKey: SRGGMDFJRRKOFC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  methyl 3,3,4,4,4-pentachlorobutanoate 在 吡啶 、 甲醇 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 methyl 3-methoxy-4,4,4-trichloro-2-butanoate
  参考文献：
  名称：

  摘要：

  From 3,4,4-trichloro-3-butenoic acid 3,3,4,4,4-pentachlorobutanoic, 3,4,4,4-tetrachloro-2-butenoic, and 2,3,4,4-tetrachloro-3-butenoic acids were synthesized. By Friedel-Krafts reaction from 3,4,4-trichloro-3-butenoyl and 3,3,4,4,4-pentachlorobutanoyl chlorides with aromatic hydrocarbons the corresponding aryl chloroalkyl ketones were prepared. It was established that dehydrochlorination of 2,2,3,3,3-pentachloropropyl phenyl ketone with aqueous alkali under conditions of the phase-transfer catalysis at the molar ratio of reagents ketone: KOH: triethylbenzylammoniurn chloride equal to 1: 4: 0.05 involved the cleavage of two HCl molecules and resulted in 3,3,3-trichloro-1-propynyl phenyl ketone.

  DOI：

  10.1023/a:1020980921916
• 作为产物：
  描述：

  甲醇 、 3,3,4,4,4-pentachlorobutanoic acid 在 硫酸 作用下， 反应 8.0h， 以92%的产率得到methyl 3,3,4,4,4-pentachlorobutanoate
  参考文献：
  名称：

  摘要：

  From 3,4,4-trichloro-3-butenoic acid 3,3,4,4,4-pentachlorobutanoic, 3,4,4,4-tetrachloro-2-butenoic, and 2,3,4,4-tetrachloro-3-butenoic acids were synthesized. By Friedel-Krafts reaction from 3,4,4-trichloro-3-butenoyl and 3,3,4,4,4-pentachlorobutanoyl chlorides with aromatic hydrocarbons the corresponding aryl chloroalkyl ketones were prepared. It was established that dehydrochlorination of 2,2,3,3,3-pentachloropropyl phenyl ketone with aqueous alkali under conditions of the phase-transfer catalysis at the molar ratio of reagents ketone: KOH: triethylbenzylammoniurn chloride equal to 1: 4: 0.05 involved the cleavage of two HCl molecules and resulted in 3,3,3-trichloro-1-propynyl phenyl ketone.

  DOI：

  10.1023/a:1020980921916

文献信息

• ——
  作者：V. I. Potkin、R. V. Kaberdin、S. K. Petkevich、P. V. Kurman

  DOI：10.1023/a:1020980921916

  日期：——

  From 3,4,4-trichloro-3-butenoic acid 3,3,4,4,4-pentachlorobutanoic, 3,4,4,4-tetrachloro-2-butenoic, and 2,3,4,4-tetrachloro-3-butenoic acids were synthesized. By Friedel-Krafts reaction from 3,4,4-trichloro-3-butenoyl and 3,3,4,4,4-pentachlorobutanoyl chlorides with aromatic hydrocarbons the corresponding aryl chloroalkyl ketones were prepared. It was established that dehydrochlorination of 2,2,3,3,3-pentachloropropyl phenyl ketone with aqueous alkali under conditions of the phase-transfer catalysis at the molar ratio of reagents ketone: KOH: triethylbenzylammoniurn chloride equal to 1: 4: 0.05 involved the cleavage of two HCl molecules and resulted in 3,3,3-trichloro-1-propynyl phenyl ketone.