| 1417797-41-1

• CAS: 1417797-41-1
• 化学式: C₉H₁₅Cl₅N₃O₃Re
• 分子量: 576.708
• InChiKey: IVSUBSARUXZLBF-UHFFFAOYSA-I

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：

  异氰酸乙酯 、 rhenium(V) chloride 以 1,2-二氯乙烷 为溶剂， 以75%的产率得到
  参考文献：
  名称：

  Inner-sphere condensation of EtNCO and MeCN through coinsertion into the Re-Cl bond

  摘要：

  Reactions of rhenium pentachloride with ethyl isocyanate in dichloroethane and acetonitrile are the first to demonstrate the feasibility of inserting organic isocyanates and nitriles into a rhenium-halogen bond. IR spectroscopy and elemental analysis data show that the addition of one to three ethyl isocyanate molecules in dichloroethane yields ReCl4[N(Et)C(O) (n) ]Cl with n = 1-3, depending on the relationship between the reactants. The reaction in acetonitrile yields a heteromolecular insertion product containing a chain of two isocyanate groups and one nitrile group attached to the same rhenium-chlorine bond: ReCl4[{N(Et)C(O)}(2)N=C(Me)Cl]. When EtNCS is used instead of EtNCO, the reaction is reversible.

  DOI：

  10.1134/s0020168512070114