2-[(3-甲基丁-3-烯基)硫代]乙醇 | 82010-90-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: 2-[(3-甲基丁-3-烯基)硫代]乙醇
• 中文别名: N-(4-甲基苯基)吖啶-9-胺盐酸(1:1)
• 英文名称: 2-<(3-Methyl-3-butenyl)thio>ethanol
• 英文别名: 2-((3-Methylbut-3-enyl)thio)ethanol；2-(3-methylbut-3-enylsulfanyl)ethanol
• CAS: 82010-90-0
• 化学式: C₇H₁₄OS
• 分子量: 146.254
• InChiKey: YQJTVQUVTCIFDD-UHFFFAOYSA-N

物化性质

• 沸点：
  235.0±23.0 °C(Predicted)
• 密度：
  0.972±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  9
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  45.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-[(3-甲基丁-3-烯基)硫代]乙醇 生成 2-(Ethylthio)ethyl 3-methyl-3-butenyl sulfide
  参考文献：
  名称：

  Studies on the use of bidentate ligands in the directed Pauson-Khand reaction

  摘要：

  The use of bidentate ligands in the directed Pauson-Khand reaction was investigated. Substrates with a three-carbon linkage between the two heteroatoms gave better results than substrates containing two-carbon tethers. Higher yields and better regioselectivities were observed with thioamines and bisthioethers compared to diamines. Overall, only a few bidentate substrates showed marked improvements over previous results obtained with analogous monodentate compounds. Rationalizations based on the possible modes of cycloaddition operative for the various substrates studied are presented.

  DOI：

  10.1021/jo00045a021
• 作为产物：
  描述：

  4-mesyloxy-2-methylbutene 、 2-巯基乙醇 在 六甲基磷酰三胺 、 sodium hydride 作用下， 生成 2-[(3-甲基丁-3-烯基)硫代]乙醇
  参考文献：
  名称：

  Studies on the use of bidentate ligands in the directed Pauson-Khand reaction

  摘要：

  The use of bidentate ligands in the directed Pauson-Khand reaction was investigated. Substrates with a three-carbon linkage between the two heteroatoms gave better results than substrates containing two-carbon tethers. Higher yields and better regioselectivities were observed with thioamines and bisthioethers compared to diamines. Overall, only a few bidentate substrates showed marked improvements over previous results obtained with analogous monodentate compounds. Rationalizations based on the possible modes of cycloaddition operative for the various substrates studied are presented.

  DOI：

  10.1021/jo00045a021

文献信息

• Studies on the use of bidentate ligands in the directed Pauson-Khand reaction
  作者：Marie E. Krafft、Carmelinda A. Juliano

  DOI：10.1021/jo00045a021

  日期：1992.9

  The use of bidentate ligands in the directed Pauson-Khand reaction was investigated. Substrates with a three-carbon linkage between the two heteroatoms gave better results than substrates containing two-carbon tethers. Higher yields and better regioselectivities were observed with thioamines and bisthioethers compared to diamines. Overall, only a few bidentate substrates showed marked improvements over previous results obtained with analogous monodentate compounds. Rationalizations based on the possible modes of cycloaddition operative for the various substrates studied are presented.