[(Me3Si)2CH]2Ge[I][(CHPh)N(CH3)2] | 1148128-59-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [(Me3Si)2CH]2Ge[I][(CHPh)N(CH3)2]
• CAS: 1148128-59-9
• 化学式: C₂₃H₅₀GeINSi₄
• 分子量: 652.493
• InChiKey: VVZIXCKEPWMFGC-OAQYLSRUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.46
• 重原子数：
  30.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  3.24
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  N,N-二甲基苄胺 、 碘苯 、 bis[bis(trimethylsilyl)methyl]germanium(II) 以 neat (no solvent) 为溶剂， 生成 [(Me3Si)2CH]2GeI(Ph) 、 [(Me3Si)2CH]2Ge[I][(CHPh)N(CH3)2] 、 [(Me3Si)2CH]2Ge[I][(CH2)N(CH2Ph)(CH3)]
  参考文献：
  名称：

  Silylene- and Germylene-Mediated C−H Activation: Reaction with Alkanes, Ethers, and Amines

  摘要：

  The reaction of silylene Si[N-2(Bu-t)(2)C2H2] and Ph-X (X = I, Br) in alkane and ethereal solvents results in the formation of C-H activation product [C2H2(Bu-t(2))N-2]SiRI and an equivalent of benzene or oxidative-addition product [C2H2(Bu-t(2))N-2]SiRI . The ratio of products obtained is dependent upon substrate and concentration. This class of reaction has been extended for Si[N-2(Bu-t)(2)C2H2] and Ge[CH(SiMe3)(2)](2) to alkylamines. The primary kinetic isotope effect has been measured for the reaction of Si[N-2(Bu-t)(2)C2H2] with Et2O and determined to be k(H)/k(D) = 5.1 +/- 0.1. The reaction of Ge[CH(SiMe3)(2)](2) and Ph-Br with THF was determined to be second order. A large isotope effect ranging from 1.8 to 1.1 was measured for a variety of deuterated aryl halides, consistent with an initial electron transfer to the aryl halide.

  DOI：

  10.1021/om900182z