2-chloro-3-carboxymethylsulfanylprop-1-ene | 861064-07-5

• 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: 2-chloro-3-carboxymethylsulfanylprop-1-ene
• 英文别名: (2-chloro-allylmercapto)-acetic acid；(2-Chlor-allylmercapto)-essigsaeure；2-(2-chloroprop-2-enylsulfanyl)acetic acid
• CAS: 861064-07-5
• 化学式: C₅H₇ClO₂S
• mdl: MFCD09940761
• 分子量: 166.628
• InChiKey: YZLALJSKOQMOCO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  62.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  S-(2-chloroprop-2-en-1-yl)isothiuronium chloride 、 氯乙酸 在 一水合肼 、 potassium hydroxide 作用下， 反应 10.5h， 以81%的产率得到2-chloro-3-carboxymethylsulfanylprop-1-ene
  参考文献：
  名称：

  Features of the synthesis of unsaturated sulfides proceeding from (2-chloroprop-2-en-1-yl)isothiouronium chloride

  摘要：

  Procedure of synthesis of sulfides containing a chloropropenyl fragment sensitive to bases was modified. The change in the sequence of reagents addition ensuring a contact of isothiouronium salt with a minimal base quantity and the application of a mixture hydrazine hydrate-alkali allowed the preparation of target sulfides under mild conditions in up to 93% yields.

  DOI：

  10.1134/s1070428015020037

文献信息

• Features of the synthesis of unsaturated sulfides proceeding from (2-chloroprop-2-en-1-yl)isothiouronium chloride
  作者：E. P. Levanova、V. S. Vakhrina、V. A. Grabel’nykh、I. B. Rozentsveig、N. V. Russavskaya、A. I. Albanov、E. R. Sanzheeva、N. A. Korchevin

  DOI：10.1134/s1070428015020037

  日期：2015.2

  Procedure of synthesis of sulfides containing a chloropropenyl fragment sensitive to bases was modified. The change in the sequence of reagents addition ensuring a contact of isothiouronium salt with a minimal base quantity and the application of a mixture hydrazine hydrate-alkali allowed the preparation of target sulfides under mild conditions in up to 93% yields.