| 420132-10-1

• CAS: 420132-10-1
• 化学式: C₃₃H₂₈ClIrOP₂
• 分子量: 730.205
• InChiKey: JPCUHOPYASGKDW-UHFFFAOYSA-M

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：

  IrCl(CO)(PPh3)3 、 1,2-双(联苯代磷甲基)-苯 以 甲苯 为溶剂， 生成
  参考文献：
  名称：

  Syntheses and characterizations of iridium complexes containing bidentate phosphine ligands and their catalytic hydrogenation reactions to α,β-unsaturated aldehydes

  摘要：

  Five iridium complexes containing bidentate phosphine ligands, IrH(CO)(PPh3)(BPPB) [BPPB = 1,2-bis(diphenylphosphino)benzene] (1), IrH(CO)(PPh3)(BISBI) [BISBI = 2,2'-bis(diphenylphosphinomethyl)-1,1'-biphenyl] (2), IrH(CO) (PPh3)(BDNA) [BDNA = 1,8-bis(diphenylphosphinomethyl)naphthalene] (3), IrH(CO)(PPh3)(BDPX) [BDPX = 1,2-bis(diphenylphosphinomethyl)benzene] (4), and IrHCl(CO)(PCP) [PCP-H = 1,3-bis(diphenylphosphinomethyl)benzene] (5) were synthesized. Their compositions and structures were identified by elemental analysis, FTIR, P-31{H-1} NMR and H-1 NMR. The molecular structure of IrH(CO)(PPh3)(BDNA) determined by single crystal X-ray diffraction indicated a trigonal bipyramidal structure with the three phosphorus atoms in the equatorial plane. The crystal belonged to triclinic system, P1 space group, a = 11.47 Angstrom, b = 11.65 Angstrom, c = 19.20 Angstrom, alpha = 8 1.95degrees, beta = 75.60degrees, gamma = 70.60degrees, and Z = 2. The catalytic hydrogenation activities and selectivities of the five complexes as catalysts for citral and cinnamaldehyde were investigated. Complexes 1-4 showed high selectivity for the hydrogenation of C=O group in citral. High selectivity for the hydrogenation of C=O group in cinnamaldehyde catalyzed by complex 4 could be obtained in the presence of excess amount of ligand (BDPX). (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s1381-1169(01)00294-1