4-[4-(2-(pyridin-4-yl)ethylsulfanyl)phenyl]morpholine | 881664-18-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 4-[4-(2-(pyridin-4-yl)ethylsulfanyl)phenyl]morpholine
• 英文别名: 4-[4-(2-Pyridin-4-ylethylsulfanyl)phenyl]morpholine
• CAS: 881664-18-2
• 化学式: C₁₇H₂₀N₂OS
• 分子量: 300.425
• InChiKey: WRXIYUUFOBIKJB-UHFFFAOYSA-N

物化性质

• 沸点：
  503.2±50.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  50.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-[4-(2-(pyridin-4-yl)ethylsulfanyl)phenyl]morpholine 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 5.0h， 以100%的产率得到4-吗啉-4-基苯硫酚
  参考文献：
  名称：

  Practical Thiol Surrogates and Protective Groups for Arylthiols for Suzuki−Miyaura Conditions

  摘要：

  We have developed practical thiol surrogates and arylthiol protective groups for the Suzuki-Miyaura reaction. 2-Ethylhexyl-3-mercaptopropionate and 4-(2'-mercaptoethyl)pyridine were shown to be not only good thiol surrogates but also good protective groups for thiol. We have demonstrated toleration of these protective groups under aqueous Suzuki-Miyaura conditions.

  DOI：

  10.1021/jo052624z
• 作为产物：
  描述：

  4-吡啶乙硫醇盐酸盐 在 tris(dibenzylideneacetone)dipalladium (0) 、 D-t-BPF 、 N,N-二异丙基乙胺 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 、 sodium t-butanolate 作用下， 以 甲苯 为溶剂， 反应 21.0h， 生成 4-[4-(2-(pyridin-4-yl)ethylsulfanyl)phenyl]morpholine
  参考文献：
  名称：

  Practical Thiol Surrogates and Protective Groups for Arylthiols for Suzuki−Miyaura Conditions

  摘要：

  We have developed practical thiol surrogates and arylthiol protective groups for the Suzuki-Miyaura reaction. 2-Ethylhexyl-3-mercaptopropionate and 4-(2'-mercaptoethyl)pyridine were shown to be not only good thiol surrogates but also good protective groups for thiol. We have demonstrated toleration of these protective groups under aqueous Suzuki-Miyaura conditions.

  DOI：

  10.1021/jo052624z

文献信息

• Practical Thiol Surrogates and Protective Groups for Arylthiols for Suzuki−Miyaura Conditions
  作者：Takahiro Itoh、Toshiaki Mase

  DOI：10.1021/jo052624z

  日期：2006.3.1

  We have developed practical thiol surrogates and arylthiol protective groups for the Suzuki-Miyaura reaction. 2-Ethylhexyl-3-mercaptopropionate and 4-(2'-mercaptoethyl)pyridine were shown to be not only good thiol surrogates but also good protective groups for thiol. We have demonstrated toleration of these protective groups under aqueous Suzuki-Miyaura conditions.