magnesium bis(((dicyclohexylphosphaneyl)methyl)dimethylsilyl)amide bromide | 476168-77-1

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: magnesium bis(((dicyclohexylphosphaneyl)methyl)dimethylsilyl)amide bromide
• CAS: 476168-77-1
• 化学式: Br*C₃₀H₆₀NP₂Si₂*Mg
• 分子量: 657.141
• InChiKey: OQDZKFFKZQGMLZ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  7.77
• 重原子数：
  37.0
• 可旋转键数：
  10.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  14.1
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  [ReOCl3(OPPh3)(SMe2)] 、 magnesium bis(((dicyclohexylphosphaneyl)methyl)dimethylsilyl)amide bromide 以 氘代苯 为溶剂， 生成
  参考文献：
  名称：

  Double Silyl Migration Converting ORe[N(SiMe₂CH₂PCy₂)₂] to NRe[O(SiMe₂CH₂PCy₂)₂] Substructures

  摘要：

  The reaction of (R2PCH2SiMe2)(2)NM ((PNPM)-M-R; R = Cy; M = Li, Na, MgHal, Ag) with L2ReOX3 [L-2 = (Ph3P)(2) or (Ph3PO)(Me2S); X = Cl, Br] gives (PNPCy)ReOX2 as two isomers, mer,trans and mer,cis. These compounds undergo a double Si migration from N to O at 90 degreesC to form (POPCy)ReNX2 as a mixture of mer,trans and fac,cis isomers. Additional thermolysis effects migration of CH3 from Si to Re, along with compensating migration of halide from Re to Si. DFT calculations on various structural isomers support the greater thermodynamic stability of the POP/ReN isomer vs PNP/ReO and highlight the influence of the template effect on the reactivities of these species.

  DOI：

  10.1021/ic020424p