Hexyl[tris(methylsulfanyl)]silane | 139461-44-2

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: Hexyl[tris(methylsulfanyl)]silane
• 英文别名: hexyl-tris(methylsulfanyl)silane
• CAS: 139461-44-2
• 化学式: C₉H₂₂S₃Si
• 分子量: 254.557
• InChiKey: VUMAQJLQXBVAOK-UHFFFAOYSA-N

物化性质

• 沸点：
  302.1±25.0 °C(Predicted)
• 密度：
  0.999±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.59
• 重原子数：
  13
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  75.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  tris-methylsulfanyl-silane 、 6-溴-1-己烯 在 偶氮二异丁腈 作用下， 以 甲苯 为溶剂， 以4.7%的产率得到1-己烯
  参考文献：
  名称：

  A study on the reducing abilities of tris(alkylthio)silanes

  摘要：

  Tris(methylthio)silane and tris(isopropylthio)silane effectively reduce a variety of organic substrates via free radical mechanisms. These silanes can also be used as hydrosilylating agents for alkenes having electron-donating substituents. The bond dissociation energy of the Si-H bonds have been measured by photoacoustic calorimetry and found to be around 83 kcal mol-1. The absolute rate constants for the reaction of the tert-butoxyl radical with (RS)3SiH have been measured by a laser flash photolysis technique and the optical absorption spectra of the corresponding radicals have been obtained. Multiple scattering X(alpha) calculations showed that the dominant absorption detected in the UV-vis region was due to sigma(Si-S)(e) --> SOMO and SOMO --> sigma*(Si-S)(e) transitions.

  DOI：

  10.1021/jo00034a042

文献信息

• A study on the reducing abilities of tris(alkylthio)silanes
  作者：C. Chatgilialoglu、M. Guerra、A. Guerrini、G. Seconi、K. B. Clark、D. Griller、J. Kanabus-Kaminska、J. A. Martinho-Simoes

  DOI：10.1021/jo00034a042

  日期：1992.4

  Tris(methylthio)silane and tris(isopropylthio)silane effectively reduce a variety of organic substrates via free radical mechanisms. These silanes can also be used as hydrosilylating agents for alkenes having electron-donating substituents. The bond dissociation energy of the Si-H bonds have been measured by photoacoustic calorimetry and found to be around 83 kcal mol-1. The absolute rate constants for the reaction of the tert-butoxyl radical with (RS)3SiH have been measured by a laser flash photolysis technique and the optical absorption spectra of the corresponding radicals have been obtained. Multiple scattering X(alpha) calculations showed that the dominant absorption detected in the UV-vis region was due to sigma(Si-S)(e) --> SOMO and SOMO --> sigma*(Si-S)(e) transitions.