S-methyl 2-methyl-3-oxopentanethioate | 25344-11-0

• 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: S-methyl 2-methyl-3-oxopentanethioate
• 英文别名: 2-Methyl-3-oxo-pentanthiosaeure-S-methylester
• CAS: 25344-11-0
• 化学式: C₇H₁₂O₂S
• 分子量: 160.237
• InChiKey: HZPNNSWEIODLHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  59.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-methyl-1,1-bis-methylsulfanyl-pent-1-en-3-one 在 poly((1-vinyl-2-pyrrolidone)-co-(4-vinyl pyridine)) Br₂ 作用下， 以 水 为溶剂， 反应 3.0h， 以95%的产率得到S-methyl 2-methyl-3-oxopentanethioate
  参考文献：
  名称：

  Bromine Complexes of Polyvinylpyrrolidone Supports: A Mild Reagent for the Transformation of α‐Oxoketene Dithioacetals to β‐Oxothiolesters

  摘要：

  When alpha-oxoketene dithioacetals 1a-n were treated with the bromine complex of a copolymer of 1-vinyl-2-pyrrolidone and 4-vinylpyridine, the corresponding thiolcarboxylates 2a-n were formed in excellent yields. The reaction also works with other 1-vinyl-2-pyrrolidone-derived polymers as well as commercially available polyvinylpyrrolidone- bromine complexes. The method is suitable for preparing aliphatic, aromatic, and gamma,delta-unsaturated beta-oxothiolcarboxylates.

  DOI：

  10.1080/00397910500182069

文献信息

• Demuynck,C.; Thuillier,A., Bulletin de la Societe Chimique de France, 1969, p. 2434 - 2438
  作者：Demuynck,C.、Thuillier,A.

  DOI：——

  日期：——