2-(2-(2-chlorophenylthio)-3-(trimethylsilyl)propyl)cyclohexanone | 1046204-46-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-(2-(2-chlorophenylthio)-3-(trimethylsilyl)propyl)cyclohexanone
• 英文别名: 2-[2-(2-Chlorophenyl)sulfanyl-3-trimethylsilylpropyl]cyclohexan-1-one
• CAS: 1046204-46-9
• 化学式: C₁₈H₂₇ClOSSi
• 分子量: 355.016
• InChiKey: ACHNAENQBYKXLK-UHFFFAOYSA-N

物化性质

• 沸点：
  434.7±30.0 °C(predicted)
• 密度：
  1.08±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.29
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(2-(2-chlorophenylthio)-3-(trimethylsilyl)propyl)cyclohexanone 在 间氯过氧苯甲酸 、 三苯基膦 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 3.0h， 以72%的产率得到(E)-2-(3-(trimethylsilyl)allyl)cyclohexanone
  参考文献：
  名称：

  Radical, One-Step Approach to o-Chlorophenyl Thioethers from Xanthates. A Rapid Access to Vinylsilanes

  摘要：

  Xanthates have been readily converted into o-chlorophenyl thioethers using a one-step procedure conducted under radical conditions. In some selected cases, these aryl thioethers were successfully oxidized to the corresponding sulfoxides and sulfenic acid elimination afforded the corresponding vinylsilanes.

  DOI：

  10.1021/ol801348u
• 作为产物：
  描述：

  O-ethyl S-1-(2-oxocyclohexyl)-3-(trimethylsilyl)propan-2-yl carbonodithioate 、 2,2’-二氯二苯二硫醚 在 过氧化双月桂酰 作用下， 以 1,2-二氯乙烷 为溶剂， 以78%的产率得到2-(2-(2-chlorophenylthio)-3-(trimethylsilyl)propyl)cyclohexanone
  参考文献：
  名称：

  Radical, One-Step Approach to o-Chlorophenyl Thioethers from Xanthates. A Rapid Access to Vinylsilanes

  摘要：

  Xanthates have been readily converted into o-chlorophenyl thioethers using a one-step procedure conducted under radical conditions. In some selected cases, these aryl thioethers were successfully oxidized to the corresponding sulfoxides and sulfenic acid elimination afforded the corresponding vinylsilanes.

  DOI：

  10.1021/ol801348u

文献信息

• Radical, One-Step Approach to <i>o</i>-Chlorophenyl Thioethers from Xanthates. A Rapid Access to Vinylsilanes
  作者：Matthieu Corbet、Zorana Ferjančić、Béatrice Quiclet-Sire、Samir Z. Zard

  DOI：10.1021/ol801348u

  日期：2008.8.21

  Xanthates have been readily converted into o-chlorophenyl thioethers using a one-step procedure conducted under radical conditions. In some selected cases, these aryl thioethers were successfully oxidized to the corresponding sulfoxides and sulfenic acid elimination afforded the corresponding vinylsilanes.