[Ir(1,2-bis(diisopropylphosphino)ethane)2H2]Cl | 817578-35-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: [Ir(1,2-bis(diisopropylphosphino)ethane)2H2]Cl
• 英文别名: [Ir(dippe)2H2]Cl
• CAS: 817578-35-1
• 化学式: C₂₈H₆₆IrP₄*Cl
• 分子量: 754.4
• InChiKey: ULKBEBPLROCDHR-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  7.63
• 重原子数：
  34.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  [Ir(1,2-bis(diisopropylphosphino)ethane)2H2]Cl 以 氘代乙腈 为溶剂， 生成 [Ir(dippe)2]Cl*CH2Cl2
  参考文献：
  名称：

  Synthesis, structure and reactivity of [Ir(dippe)(μ-Cl)]2, [Ir(dippe)2][Ir(dippe)Cl2] and [Ir(dippe)2]Cl

  摘要：

  [Ir(COD)(mu-Cl)](2) reacts with two equivalents of 1,2-bis(diisopropylphosphino)ethane (dippe) to produce [Ir(dippe)(mu-Cl)](2) (1a) in yields that are dependent upon the solvent. Its single crystal X-ray structure shows a hinge angle theta of 132.2degrees, which is larger than in other reported iridium analogs, but smaller than in [Rh(dippe)(mu-Cl)](2) (1b). [Ir(dippe)(2)][Ir(dippe)Cl-2] (2), whose anion is without literature precedent, is an intermediate species in the conversion of 1a to [Ir(dippe)(2)]Cl (3). Complex 3 reacts with dihydrogen to produce [Ir(dippe)(2)H-2]Cl (4). (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2004.06.031
• 作为产物：
  描述：

  [Ir(dippe)2]Cl*CH2Cl2 、 氢气 以 乙腈 为溶剂， 以63.3%的产率得到[Ir(1,2-bis(diisopropylphosphino)ethane)2H2]Cl
  参考文献：
  名称：

  Synthesis, structure and reactivity of [Ir(dippe)(μ-Cl)]2, [Ir(dippe)2][Ir(dippe)Cl2] and [Ir(dippe)2]Cl

  摘要：

  [Ir(COD)(mu-Cl)](2) reacts with two equivalents of 1,2-bis(diisopropylphosphino)ethane (dippe) to produce [Ir(dippe)(mu-Cl)](2) (1a) in yields that are dependent upon the solvent. Its single crystal X-ray structure shows a hinge angle theta of 132.2degrees, which is larger than in other reported iridium analogs, but smaller than in [Rh(dippe)(mu-Cl)](2) (1b). [Ir(dippe)(2)][Ir(dippe)Cl-2] (2), whose anion is without literature precedent, is an intermediate species in the conversion of 1a to [Ir(dippe)(2)]Cl (3). Complex 3 reacts with dihydrogen to produce [Ir(dippe)(2)H-2]Cl (4). (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2004.06.031