IrCl(CO)(PPh3)3 | 41114-18-5

• 英文名称: IrCl(CO)(PPh3)3
• CAS: 41114-18-5
• 化学式: C₅₅H₄₅ClIrOP₃
• 分子量: 1042.56
• InChiKey: XBPSAKFIZHLICK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  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
• 作为试剂：
  描述：

  1-氯-2-碘苯 、 丙烯酸甲酯（MA） 在 IrCl(CO)(PPh3)3 、 potassium carbonate 作用下， 以 various solvent(s) 为溶剂， 反应 24.0h， 以55%的产率得到methyl (2E)-3-(2-chlorophenyl)prop-2-enoate
  参考文献：
  名称：

  The vinylation of aryl iodides catalysed by Co, Rh and Ir complexes

  摘要：

  The CoCl(PPh(3))(3), RhCl(PPh(3))(3), and IrClCO(PPh(3))(2) catalysed vinylation of aryl iodides proceeds to give cinnamates and stilbene in high yields.

  DOI：

  10.1016/0022-328x(94)05363-g

文献信息

• Bis(diethylphosphino)methane As a Bridging Ligand in Complexes of Ir₂, Rh₂, and IrRh: Geminal C–H Activation of α-Olefins
  作者：Michael E. Slaney、D. Jason Anderson、Michael J. Ferguson、Robert McDonald、Martin Cowie

  DOI：10.1021/om201214z

  日期：2012.3.26

  Bis(diethylphosphino)methane (depm, Et2PCH2PEt2) is used as a new bridging ligand for the syntheses of a series of diiridium, dirhodium, and iridium/rhodium complexes, starting from trans-[MM′Cl2(CO)2(depm)2] (M = M′ = Ir (1); M = M′ = Rh (11); M = Ir, M′ = Rh (19)). The reduction of all three chloro compounds in aqueous KOH under an atmosphere of CO produces the neutral tricarbonyl complexes [MM′(CO)3(depm)2]

  双（二乙基膦基）甲烷（DEPM，等2 PCH 2 PET 2）被用作用于一系列二铱，二铑和铱/铑络合物的合成一个新的桥连配体，从起始的反式- [MM'Cl 2（CO ）2（DEPm）2 ]（M ＝ M′＝ Ir（1）； M ＝ M′＝ Rh（11）； M ＝ Ir，M′＝ Rh（19））。在CO气氛下在KOH水溶液中将所有三种氯化合物还原生成中性三羰基配合物[MM'（CO）3（DEPm）2 ]（M = M'= Ir（2）; M = M'= Rh（12）; M = Ir，M'= Rh（20））。用三氟甲磺酸（HOTf）或布鲁克哈特酸（HBAr F 4）质子化这些三羰基配合物，生成氢化物桥接的三羰基配合物[MM'（CO）3（μ-H）（DEPm）2 ] [X]（M = M ′= Ir（9）; M = M′= Rh（16）; M = Ir，M′= Rh（25）; X = SO 3 CF 3或B（3