[IrCl(cod)(PCy₃)] | 64536-83-0

• 英文名称: [IrCl(cod)(PCy₃)]
• 英文别名: [Ir(cyclooctadiene)(Cl)(P(cyclohexyl)3)]；[Ir(cod)(Cl)(PCy3)]
• CAS: 64536-83-0
• 化学式: C₂₆H₄₅ClIrP
• 分子量: 616.29
• InChiKey: MMFRUPUZDQQMLS-ONEVTFJLSA-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

• 作为反应物：
  描述：

  NaOSiMe₂CHCH₂ 、 [IrCl(cod)(PCy₃)] 以 苯 为溶剂， 以90%的产率得到[Ir(cyclooctadiene)(P(cyclohexyl)3)(vinyldimethylsiloxy)]
  参考文献：
  名称：

  Synthesis and structure of the first monomeric iridium–siloxide complexes

  摘要：

  The first monomeric iridium-siloxide complexes [Ir(cod)(PCy3)(OSiMe3)] (1), [Ir(cod)(PCy3)(OSiMe2CH=CH2)] (2) and [Ir(CO)(PPh3)(2)(OSiMe3)] (3), whose structures have been successfully determined by the X-ray method, have been synthesised and characterised by H-1, C-13, P-31 and Si-29 NMR spectroscopy. In all three complexes the coordination of iridium is square planar. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)00855-1
• 作为产物：
  描述：

  bis(1,5-cyclooctadiene)diiridium(I) dichloride 、 三环己基膦 以 苯 为溶剂， 以95%的产率得到[IrCl(cod)(PCy₃)]
  参考文献：
  名称：

  Synthesis and structure of the first monomeric iridium–siloxide complexes

  摘要：

  The first monomeric iridium-siloxide complexes [Ir(cod)(PCy3)(OSiMe3)] (1), [Ir(cod)(PCy3)(OSiMe2CH=CH2)] (2) and [Ir(CO)(PPh3)(2)(OSiMe3)] (3), whose structures have been successfully determined by the X-ray method, have been synthesised and characterised by H-1, C-13, P-31 and Si-29 NMR spectroscopy. In all three complexes the coordination of iridium is square planar. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)00855-1

文献信息

• Encapsulation of Crabtree's Catalyst in Sulfonated MIL‐101(Cr): Enhancement of Stability and Selectivity between Competing Reaction Pathways by the MOF Chemical Microenvironment
  作者：Alexios Grigoropoulos、Alasdair I. McKay、Alexandros P. Katsoulidis、Robert P. Davies、Anthony Haynes、Lee Brammer、Jianliang Xiao、Andrew S. Weller、Matthew J. Rosseinsky

  DOI：10.1002/anie.201710091

  日期：2018.4.16

  Crabtree's catalyst was encapsulated inside the pores of the sulfonated MIL-101(Cr) metal-organic framework (MOF) by cation exchange. This hybrid catalyst is active for the heterogeneous hydrogenation of non-functionalized alkenes either in solution or in the gas phase. Moreover, encapsulation inside a well-defined hydrophilic microenvironment enhances catalyst stability and selectivity to hydrogenation

  Crabtree 的催化剂通过阳离子交换被封装在磺化 MIL-101(Cr) 金属有机骨架 (MOF) 的孔内。这种混合催化剂对于溶液或气相中非官能化烯烃的非均相氢化具有活性。此外，封装在明确的亲水性微环境内增强了催化剂的稳定性以及对于具有连接官能团的底物的氢化相对于异构化的选择性。因此，在烯醇氢化中，封装催化剂在整体转化率和选择性方面显着优于其均相催化剂，MOF主体的化学微环境有利于两种竞争反应途径中的一种。
• New iridium(I) complexes with labile ligands: reactivity and structural characterization by atmospheric pressure mass and tandem mass spectrometry
  作者：Regina M.S. Pereira、Vanderlei I. Paula、Regina Buffon、Daniela M. Tomazela、Marcos N. Eberlin

  DOI：10.1016/j.ica.2003.12.025

  日期：2004.5

  Reaction of diphosphine complexes [IrCl(C6F5)(2)P(CH2)(2)P(C6F5)(2) }](2) (I) and [IrCl(dppe)](2) (II) with coordinating solvents (acetonitrile, acetone, DMSO) leads to several square-planar complexes of the type [IrCl(diphosphine)(solvent)] which are stable only in solution ([IrCl(C6F5)(2)P(CH2)(2)P(C6F5)(2)}(NCCH3)] (III) and [IrCl(C6F5)(2)P(CH2)(2)P(C6F5)(2)} (acetone)], IV) and/or can be detected only under APCI-MS/MS conditions ([IrCl(dppe)(solvent)]). When III is allowed to react with CO for at least 30 min, the unusual five coordinated trans-dicarbonyl complex [IrCl(C6F5)(2)P(CH2)(2)P(C6F5)(2)}(CO)(2)] (Vb) is formed, as characterized by H-1 and P-31 NMR, FT-IR, TGA and APCI-MS/MS.A new and stable square-planar complex [Ir(OCH3)(cod)(PClPh2)] (IX) was also synthesized. Its APCI-MS/MS spectrum is simple and unique as it shows exclusively the loss of a neutral C3H2 species. Along with the APCI-MS and APCI-MS/MS analyses, whenever it was possible all complexes were also characterized by H-1 and P-31 NMR spectroscopy. (C) 2003 Elsevier B.V. All rights reserved.
• Iridium-catalyzed formation of trans-polyphenylacetylene by alkyne polymerization
  作者：Mauro Marigo、Dunja Millos、Nazario Marsich、Erica Farnetti

  DOI：10.1016/s1381-1169(03)00415-1

  日期：2003.10

  The iridium(I) compounds HIr(cod)(PR3)(2) (cod: 1,5-cyclooctadiene; PR3: Ph-3, P(p-MeOC6H4)(3), P(o-MeOC6H4)Ph-2, PCyPh2, PCy2Ph) were employed as catalyst precursors for the polymerization of phenylacetylene. The polyene was formed as the major product with all the catalysts except the PCy2Ph derivative, which promoted preferential formation of oligomers. In all cases the polymerization reactions were highly stereoselective, yielding 100% trans-polyphenylacetylene. From the catalytic mixtures the iridium(III) derivatives fac-HIr(CdropCPh)(2)(PR3)(3) (PR3: PPh3, P(p-MeOC6H4)(3)) were isolated. The results of spectroscopic studies are also reported, which provide information on the evolution of the iridium precursors during the catalytic reaction. (C) 2003 Elsevier B.V. All rights reserved.
• Chodosh, Daniel F.; Crabtree, Robert H.; Felkin, Hugh, Inorganic Chemistry, <hi>1982</hi>, vol. 21, # 4, p. 1307 - 1311
  作者：Chodosh, Daniel F.、Crabtree, Robert H.、Felkin, Hugh、Morehouse, Sheila、Morris, George E.

  DOI：——

  日期：——