N-[[bis[di(propan-2-yl)amino]phosphanyliminomethylideneamino]-[di(propan-2-yl)amino]boranyl]-N-propan-2-ylpropan-2-amine | 135928-80-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 硼酸衍生物
• 英文名称: N-[[bis[di(propan-2-yl)amino]phosphanyliminomethylideneamino]-[di(propan-2-yl)amino]boranyl]-N-propan-2-ylpropan-2-amine
• CAS: 135928-80-2
• 化学式: C₂₅H₅₆BN₆P
• 分子量: 482.545
• InChiKey: KUMHKTFGYARACU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.85
• 重原子数：
  33
• 可旋转键数：
  14
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  37.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,2,3,4,5,6,7,8-八硫杂环辛烷 、 N-[[bis[di(propan-2-yl)amino]phosphanyliminomethylideneamino]-[di(propan-2-yl)amino]boranyl]-N-propan-2-ylpropan-2-amine 以 氘代苯 为溶剂， 生成 N-[[bis[di(propan-2-yl)amino]phosphinothioyliminomethylideneamino]-[di(propan-2-yl)amino]boranyl]-N-propan-2-ylpropan-2-amine
  参考文献：
  名称：

  Synthesis of stable boryl-substituted diazomethane and nitrilimines

  摘要：

  Addition of bis(diisopropylamino)chloroborane to the lithium salt of (triisopropylsilyl)-, [bis(diisopropylamino)phosphino]-, and [bis(diisopropylamino)thioxophosphoranyl]diazomethane led to the corresponding stable N-borylnitrilimines 6-8 in 80, 90, and 95% yield, respectively. Addition of sulfur to C-phosphinonitrilimine 7 gave the thioxophosphoranyl analogue 8. The chloroborane reacted with the lithium salt of diazomethane, leading to a mixture of [bis(diisopropylamino)boryl]diazomethane (11) (54% yield) and bis[bis(diisopropylamino)boryl]nitrilimine (9) (20% yield). Compound 9 can be obtained in good yield by reacting the lithium salt of [bis(diisopropylamino]boryl]diazomethane with chloroborane. Photolysis of nitrilimines 6-9 afforded the corresponding carbodiimides 12-15. The regioselectivity and stereoselectivity of the 2 + 3 cycloaddition reactions of 6-8 with olefins were studied.

  DOI：

  10.1021/om00055a043
• 作为产物：
  描述：

  C-(diisopropylamino)phosphanyl-N-(diisopropylamino)boranyl-nitrilimine 以 氘代苯 为溶剂， 以>99的产率得到N-[[bis[di(propan-2-yl)amino]phosphanyliminomethylideneamino]-[di(propan-2-yl)amino]boranyl]-N-propan-2-ylpropan-2-amine
  参考文献：
  名称：

  Synthesis of stable boryl-substituted diazomethane and nitrilimines

  摘要：

  Addition of bis(diisopropylamino)chloroborane to the lithium salt of (triisopropylsilyl)-, [bis(diisopropylamino)phosphino]-, and [bis(diisopropylamino)thioxophosphoranyl]diazomethane led to the corresponding stable N-borylnitrilimines 6-8 in 80, 90, and 95% yield, respectively. Addition of sulfur to C-phosphinonitrilimine 7 gave the thioxophosphoranyl analogue 8. The chloroborane reacted with the lithium salt of diazomethane, leading to a mixture of [bis(diisopropylamino)boryl]diazomethane (11) (54% yield) and bis[bis(diisopropylamino)boryl]nitrilimine (9) (20% yield). Compound 9 can be obtained in good yield by reacting the lithium salt of [bis(diisopropylamino]boryl]diazomethane with chloroborane. Photolysis of nitrilimines 6-9 afforded the corresponding carbodiimides 12-15. The regioselectivity and stereoselectivity of the 2 + 3 cycloaddition reactions of 6-8 with olefins were studied.

  DOI：

  10.1021/om00055a043