1,6-bis((tert-butylphosphino)methyl)-1,3,5-heptatriene | 206364-36-5

• 分子结构分类: 有机化合物 - 有机磷化合物 - 有机膦及其衍生物
• 英文名称: 1,6-bis((tert-butylphosphino)methyl)-1,3,5-heptatriene
• 英文别名: Ditert-butyl-[[6-(ditert-butylphosphanylmethyl)cyclohepta-1,3,5-trien-1-yl]methyl]phosphane
• CAS: 206364-36-5
• 化学式: C₂₅H₄₆P₂
• 分子量: 408.588
• InChiKey: KIEDEFBTMWEWEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  、 1,6-bis((tert-butylphosphino)methyl)-1,3,5-heptatriene 以 四氢呋喃 为溶剂， 以93.4%的产率得到(2,7-(CH2P(t)Bu2)2C7H5)Ir(CO)(H)(Cl)
  参考文献：
  名称：

  Iridium Chemistry of 1,6-Bis((tert-butylphosphino)methyl)-1,3,5-cycloheptatriene

  摘要：

  The new pincer ligand 1,6-bis((tert-butylphosphino)methyl)-1,35-cycloheptatriene is metalated by Ir(CO),Cl at the 7-position to give a pincer complex. This complex when treated with LiBEt3H gives a mixture of products which result from the unusual migration of both an ethyl group and the replacement of the chlorine atom with a hydride. Individual components of the mixture can be prepared separately by treatment of the pincer complex with NaH to give dehydrochlorination followed by a prototopic rearrangement and NaBEt4, which generates the corresponding ethyl derivative.

  DOI：

  10.1021/om980045x

文献信息

• Iridium Chemistry of 1,6-Bis((<i>tert</i>-butylphosphino)methyl)-1,3,5-cycloheptatriene
  作者：Saad Nemeh、Robert J. Flesher、Karlheinz Gierling、Cäcilia Maichle-Mössmer、Hermann A. Mayer、William C. Kaska

  DOI：10.1021/om980045x

  日期：1998.5.1

  The new pincer ligand 1,6-bis((tert-butylphosphino)methyl)-1,35-cycloheptatriene is metalated by Ir(CO),Cl at the 7-position to give a pincer complex. This complex when treated with LiBEt3H gives a mixture of products which result from the unusual migration of both an ethyl group and the replacement of the chlorine atom with a hydride. Individual components of the mixture can be prepared separately by treatment of the pincer complex with NaH to give dehydrochlorination followed by a prototopic rearrangement and NaBEt4, which generates the corresponding ethyl derivative.