Ethyl-3-butylthio-butanoat | 61959-93-1

• 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: Ethyl-3-butylthio-butanoat
• 英文别名: 3-butylsulfanylbutyric acid ethyl ester；Ethyl 3-butylsulfanylbutanoate
• CAS: 61959-93-1
• 化学式: C₁₀H₂₀O₂S
• 分子量: 204.334
• InChiKey: AWUSGZXUIWFMKB-UHFFFAOYSA-N

物化性质

• 沸点：
  271.1±23.0 °C(Predicted)
• 密度：
  0.966±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  13
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3,3-Bis-butylsulfanyl-butyric acid ethyl ester 在 二叔丁基过氧化物 作用下， 以 氯苯 为溶剂， 生成 Ethyl-3-butylthio-butanoat
  参考文献：
  名称：

  Homolytic rearrangement of the di-n-butyl mercaptol of acetoacetic ester

  摘要：

  DOI：

  10.1007/bf00973393

文献信息

• Pronounced Catalytic Effect of a Micellar Solution of Sodium Dodecyl Sulfate (SDS) on the Efficient C-S Bond Formation<i>via</i>an Odorless Thia-Michael Addition Reaction through the<i>in situ</i>Generation of<i>S</i>-Alkylisothiouronium Salts
  作者：Habib Firouzabadi、Nasser Iranpoor、Mohammad Abbasi

  DOI：10.1002/adsc.200800690

  日期：2009.3

  Abstractmagnified imageA pronounced catalytic effect of sodium dodecyl sulfate (SDS) was observed on thein situproduction ofS‐alkylisothiouronium saltsviathe reaction of primary, allyl and benzyl halides with thiourea in SDS droplets .Hydrolysis of the generatedS‐alkylisothiouronium salts in the palisade layer of the droplets produces the corresponding thiol moieties which are immediately added to the electron‐deficient olefins that are present in the micellar core to produce the thia‐Michael adducts. The entire route is an almost odorless process. The yields of the products are good to excellent and the method is applicable to large‐scale operation without any problem.