methyl 4,4-dichlorocrotonate | 116496-03-8

• 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 4,4-dichlorocrotonate
• 英文别名: Methyl 4,4-dichloro-2-butenoate；methyl 4,4-dichlorobut-2-enoate
• CAS: 116496-03-8
• 化学式: C₅H₆Cl₂O₂
• 分子量: 169.007
• InChiKey: CWUMPGIWFQTQSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.4
• 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 4,4-dichlorocrotonate 在 三氯化铝 、 氯 作用下， 以 四氯化碳 为溶剂， 反应 2.0h， 以70%的产率得到methyl 2,3,3,4,4-pentachlorobutyrate
  参考文献：
  名称：

  Synthesis of chlorinated 5-hydroxy 4-methyl-2(5H)-furanones and mucochloric acid

  摘要：

  An improved procedure for the synthesis of chlorinated 5-hydroxy-4-methyl-2(5H)-furanones is described. By this method also carbon-labelled (C-13 and C-14 at C-3) hydroxyfuranones, including mucochloric acid can be prepared. Each step of the method was examined in an effort to optimize both the yield and the purity of the compounds.

  DOI：

  10.1016/0040-4039(95)00638-s
• 作为产物：
  描述：

  二氯乙醛 、 甲氧甲酰基甲基三苯基溴化膦 在 三乙胺 作用下， 生成 methyl 4,4-dichlorocrotonate
  参考文献：
  名称：

  Synthesis of chlorinated 5-hydroxy 4-methyl-2(5H)-furanones and mucochloric acid

  摘要：

  An improved procedure for the synthesis of chlorinated 5-hydroxy-4-methyl-2(5H)-furanones is described. By this method also carbon-labelled (C-13 and C-14 at C-3) hydroxyfuranones, including mucochloric acid can be prepared. Each step of the method was examined in an effort to optimize both the yield and the purity of the compounds.

  DOI：

  10.1016/0040-4039(95)00638-s

文献信息

• US6342627B1
  申请人：——

  公开号：US6342627B1

  公开（公告）日：2002-01-29
• Synthesis of chlorinated 5-hydroxy 4-methyl-2(5H)-furanones and mucochloric acid
  作者：Robert Franzén、Leif Kronberg

  DOI：10.1016/0040-4039(95)00638-s

  日期：1995.5

  An improved procedure for the synthesis of chlorinated 5-hydroxy-4-methyl-2(5H)-furanones is described. By this method also carbon-labelled (C-13 and C-14 at C-3) hydroxyfuranones, including mucochloric acid can be prepared. Each step of the method was examined in an effort to optimize both the yield and the purity of the compounds.