7--Δ¹-p-menthene | 139493-26-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 7--Δ¹-p-menthene
• 英文别名: tris(methylsulfanyl)-[(4-propan-2-ylcyclohexen-1-yl)methyl]silane
• CAS: 139493-26-8
• 化学式: C₁₃H₂₆S₃Si
• 分子量: 306.633
• InChiKey: OEUMONINIURRMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  17.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  tris-methylsulfanyl-silane 、 Beta-pinene 在 偶氮二异丁腈 作用下， 以 甲苯 为溶剂， 以83%的产率得到7--Δ¹-p-menthene
  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