[IrHCl(Me)(2,6-bis(di-tert-butylphosphino)pyridine)] | 1165815-33-7

• 英文名称: [IrHCl(Me)(2,6-bis(di-tert-butylphosphino)pyridine)]
• CAS: 1165815-33-7
• 化学式: C₂₂H₄₃ClIrNO₂P₂
• 分子量: 643.209
• InChiKey: BCHJHZMZVCAZEE-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：

  [IrHCl(Me)(2,6-bis(di-tert-butylphosphino)pyridine)] 生成 (2,6-((t-butyl)2PO)2C5H3N)IrCl
  参考文献：
  名称：

  Mechanism of Hydrogenolysis of an Iridium–Methyl Bond: Evidence for a Methane Complex Intermediate

  摘要：

  Evidence for key a-complex intermediates in the hydrogenolysis of the iridium methyl bond of (PONOP)Ir(H)(Me)(+) (1) [PONOP = 2,6-bis(di-tert-butylphosphinito)pyridine] has been obtained. The initially formed eta(2)-H-2 complex, 2, was directly observed upon treatment of 1 with H-2, and evidence for reversible formation of a a-methane complex, 5, was obtained through deuterium scrambling from eta(2)-D-2 in 2-d(2) into the methyl group of 2 prior to methane loss. This sequence of reactions was modeled by density functional theory calculations. The transition state for formation of 5 from 2 showed significant shortening of the Ir-H bond for the hydrogen being transferred; no true Ir(V) trihydride intermediate could be located. Barriers to methane loss from 2 were compared to those of 1 and the six-coordinate species (PONOP)Ir(H)(Me)(CO)(+) and (PONOP)Ir(H)(Me)(Cl).

  DOI：

  10.1021/ja310982v
• 作为产物：
  描述：

  盐酸 、 (2,6-bis(di-tert-butylphosphinito)pyridine)Ir(CH3) 以 正戊烷 为溶剂， 以69%的产率得到[IrHCl(Me)(2,6-bis(di-tert-butylphosphino)pyridine)]
  参考文献：
  名称：

  Bernskoetter, Wesley H.; Hanson, Susan Kloek; Buzak, Sara K., Journal of the American Chemical Society, 2009, vol. 131, p. 8603 - 8613

  摘要：

  DOI：