| 557085-27-5

• CAS: 557085-27-5
• 化学式: C₃₂H₆₄NP₂ReSi₂
• 分子量: 767.192
• InChiKey: PXFBSYLEKGRHAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  以 neat (no solvent, solid phase) 为溶剂， 生成 乙烯 、
  参考文献：
  名称：

  Conversion of Ethylene to Hydride and Ethylidyne by an Amido Rhenium Polyhydride

  摘要：

  Reaction of (PNPCy)ReOCl2 (PNPCy = N(SiMe2CH2PCy2)(2)) with Mg and H-2 yields (PNPCy)Re(H)(4), whose unsaturation is demonstrated by its ability to add H-2. "(PNPCy)ReH6" is an equilibrium mixture of a structure where all six H's are on Re and a structure where five H's are on Re and one H is on N. (PNPCy)Re(H)(4) reacts with C2H4 within 10 min at 25 degreesC to give ethane and (PNPCy)ReH(equivalent toC-CH3), together with its ethylene adduct.

  DOI：

  10.1021/om0210412

文献信息

• Transformation of Acyclic Alkenes to Hydrido Carbynes by (PNP^R)Re Complexes
  作者：Oleg V. Ozerov、Lori A. Watson、Maren Pink、Kenneth G. Caulton

  DOI：10.1021/ja031617u

  日期：2004.5.1

  Synthesis of (PNPR)ReOCl2 (PNPR = (R2PCH2SiMe2)(2)N, R = Pr-i, Cy, and Bu-t) from (Me2S)(2)-ReOCl3 and (PNPR)MgCl is described. Magnesium and H-2 convert (PNPR)ReOCl2 first to (PNPR)ReO(H)(2) and then to (PNPR)Re(H)(4), the last being an operationally unsaturated species which can bind PMe3 or p-toluidine. Acyclic alkenes react with (PNPR)Re(H)(4) at 22 degreesC to give first (PNPR)Re(H)(2)(olefin) and then (PNPR)ReH(carbyne), in equilibrium with its eta(2)-olefin adduct. Re can also migrate to the terminal carbon of internal olefins to form a carbyne complex. Allylic C-SiMe3 or C-NH2 bonds are not broken, but OEt, OPh, and F vinyl substituents (X) are ultimately cleaved from carbon to give the Reequivalent toC-CH3 complex and liberate HX. DFT calculations, together with detection of intermediates for certain olefins, help to define a mechanism for these conversions.