| 215875-18-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 215875-18-6
• 化学式: C₃₇H₅₁O₄P₄Re
• 分子量: 869.912
• InChiKey: OCWXERZAGAXKRW-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：

  ReH(N2)(PMe2Ph)4 、 丙二酸二甲酯 以 苯 为溶剂， 以50%的产率得到
  参考文献：
  名称：

  N-bonded enolatorhenium(I) complexes having dimethylphenylphosphine ligands as active key intermediates in catalytic Knoevenagel and Michael reactions

  摘要：

  Enolatorhenium(I) complexes cis-Re(NCCRCO2R')(NCCHRCO2R')(PMe2Ph)(4) (R = H, R' = Me (2a); R = H, R' = Et (2b); R = H, R' = n-Bu (2c); R = Me, R' = Et (2d)) are prepared by the reaction of ReH(N-2)(PMe2Ph)(4) (1) with alkyl cyanoalkyl carboxylate. X-ray structure analysis of 2b shows that it has an octahedral Re geometry, where mutually cis enolato and ester ligands bind to the rhenium via cyano groups. Reaction of 2b with benzaldehyde gives Re(NCCHCO3Et)[NC(EtO2C)C-CHPh]-(PMe2Ph)(4) (4), which is also derived from the ligand exchange reaction of 2b with ethyl (E)-2-cyano-3-phenylpropenoate. These rhenium(I) complexes 1, 2, and 4 catalyze Knoevenagel and Michael reactions under neutral and mild conditions. A possible mechanism for the Knoevenagel reaction has been proposed. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)00768-2