| 140143-72-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• CAS: 140143-72-2
• 化学式: C₅₂H₄₇ClN₈P₃Rh
• 分子量: 1015.28
• InChiKey: VQWNJFAFBWVHAJ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  8.93
• 重原子数：
  65.0
• 可旋转键数：
  8.0
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  71.28
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  Wilkinson's catalyst 、 1,2-bis(di-1-methylbenzimidazol-2-ylphosphino)ethane 以 四氢呋喃 为溶剂， 以60%的产率得到
  参考文献：
  名称：

  Mono- and bi-nuclear complexes of rhodium with functionalised diphosphine ligands

  摘要：

  Treatment of [RhCl(PPh3)3] with R2PCH2CH2PR2 (R = C6H4SMc-2 or C6H4SPr 2) gives the ionic complexes [Rh(R2PCH2CH2PR2)]Cl A. When R = C7H4NS (benzothiazolyl) or C8H7N7 (N-methyl-bonzimidazolyl), however, the partially substituted complex [RhCl(PPh3)(R2PCH2CH2PR2)] B result. Treatment of B (R = C7H4NS) with CHCl3 results in oxidation and disproportionation to the salt \ (RhCl)2-(mu-dbtpe)2][RhCl4(dbtpe)]2 C [dbtpe = (C7H6NS)2PCH2CH2P(SNC7H4)2]. X-ray diffraction analysis of C shows the cation to have a structure with a P-P chelated dbtpe ligand on each RhCl unit spanning the two metals by P,N ligation. The anion has regular octahedral co-ordination. Reaction of dbtpe with [{RhCl(cod)}2] (cod - cycloocta-1,5-diene) or [{RhCl(CO)2}2\ gives [(RhCl)2(mu-dbtpe)2] D which also has two P-P chelated RhCl units linked by P,N ligation, as shown by an X-ray crystal structure analysis. Full spectroscopic details are given for these compounds and their possible inter-relationship is discussed.

  DOI：

  10.1039/dt9920000241