(C6H5)3GeCHClCH2S(p-chlorobenzyl) | 145178-88-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: (C6H5)3GeCHClCH2S(p-chlorobenzyl)
• CAS: 145178-88-7
• 化学式: C₂₆H₂₂Cl₂GeS
• 分子量: 510.023
• InChiKey: LJVXHQZYZRBKOJ-SANMLTNESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.75
• 重原子数：
  30.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  乙烯基(三苯基)锗烷 、 4-chloro-benzenesulfenyl chloride 以 二氯甲烷 为溶剂， 生成 (C6H5)3GeCHS(p-chlorobenzyl)CH2Cl 、 (C6H5)3GeCHClCH2S(p-chlorobenzyl)
  参考文献：
  名称：

  Addition of sulphenyl halides to alkenyl-metal compounds

  摘要：

  Additions of arenesulphenyl chlorides (e.g. ArSCl = p-XC6H4SCl; X = Me or Cl; 4-Y-2-O2NC6H4SCl; Y = H, Me or NO2) to R3MCH=CH2 [R3M=Ph3Si, (EtO)3Si or Ph3Ge] can provide both possible adducts: R3MCHSArCH2Cl (the anti-Markovnikov adducts) and R3MCHClCH2SAr (the Markovnikov adducts). In reactions in CH2Cl2 at room temperature, the former adducts always dominate (> 77%) and can be the exclusive products. The ratio of [R3MCHSArCH2Cl]:[R3MCHClCH2SAr] increases in the sequences Ar = p-ClC6H4 > o-O2NC6H4 > 2,4-(O2N)2C6H3; (Me3SiCH=CH2)> Ph3SiCH=CH2 > (EtO)3SiCH=CH2; and Ph3SiCH=CH2 > Ph3GeCH=CH2.A crystal structure determination of (4-Me-2-O2NC6H3S)CH(SiPh3)CH2Cl revealed a slightly distorted tetrahedral geometry about Si with a staggered conformation about the central C-C bond (Si-C-C-Cl dihedral angle is 167-degrees). There is a short S ... O intramolecular distance of 2.781 angstrom.

  DOI：

  10.1016/0022-328x(92)83436-l