(CH3)5C5IrCl(DMSO)Cl2 | 99502-23-5

• 英文名称: (CH3)5C5IrCl(DMSO)Cl2
• CAS: 99502-23-5
• 化学式: C₁₂H₂₁Cl₂IrOS
• 分子量: 476.49
• InChiKey: XOZQBURGVWKJFP-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None

反应信息

• 作为反应物：
  描述：

  (CH3)5C5IrCl(DMSO)Cl2 、 N,N'-bis(2,6-dimethylphenyl)butane-2,3-diimine 在 triethylamine 作用下， 以 甲醇 为溶剂， 以30%的产率得到(CH3)5C5IrCl(2,6-Me2C6H3)NCMeCCH2N(2,6,-Me2C6H3)
  参考文献：
  名称：

  Reversible heterolytic CH cleavage by intramolecular CH activation at diazabutadiene ligands at iridium

  摘要：

  Reactions between [(CpIrCl2)-Ir-*](2) and diaryl-substituted diazabutadienes (dab) ArN=CR'-CR'=NAr (R' = H: Ar = 4-MeC6-H-4, 2,6-Me2C6H3, 2,6-(i) Pr2C6H3; R' = Me: Ar = 4-MeC6H4) proceed straightforwardly to give the dab complexes (CpIr)-Ir-*(dab)Cl+Cl-. Sterically more encumbered dab ligands (R' = Me: Ar = 2,6-Me2C6H3, 2,6-(i) Pr2C6H3, 2,4,6-Me2C6H3) instead give products Cp-* IrClCH2C(=NHAr)CMe=N(Ar)Cl-+(-) in which the dab ligand has undergone C-H activation at one of methyl groups of the dab bridge. The C-H cleavage reaction is reversible in the sense that thermally, the cyclometalated Ir complex decomposes to regenerate the free ligand. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s1381-1169(02)00197-8
• 作为产物：
  描述：

  bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] 、 二甲基亚砜 以 四氢呋喃 为溶剂， 生成 (CH3)5C5IrCl(DMSO)Cl2
  参考文献：
  名称：

  Reversible heterolytic CH cleavage by intramolecular CH activation at diazabutadiene ligands at iridium

  摘要：

  Reactions between [(CpIrCl2)-Ir-*](2) and diaryl-substituted diazabutadienes (dab) ArN=CR'-CR'=NAr (R' = H: Ar = 4-MeC6-H-4, 2,6-Me2C6H3, 2,6-(i) Pr2C6H3; R' = Me: Ar = 4-MeC6H4) proceed straightforwardly to give the dab complexes (CpIr)-Ir-*(dab)Cl+Cl-. Sterically more encumbered dab ligands (R' = Me: Ar = 2,6-Me2C6H3, 2,6-(i) Pr2C6H3, 2,4,6-Me2C6H3) instead give products Cp-* IrClCH2C(=NHAr)CMe=N(Ar)Cl-+(-) in which the dab ligand has undergone C-H activation at one of methyl groups of the dab bridge. The C-H cleavage reaction is reversible in the sense that thermally, the cyclometalated Ir complex decomposes to regenerate the free ligand. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s1381-1169(02)00197-8