methyl 2-bis[di(propan-2-yl)amino]boranyl-5-bis[di(propan-2-yl)amino]phosphinothioyl-3,4-dihydropyrazole-3-carboxylate | 135928-85-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl 2-bis[di(propan-2-yl)amino]boranyl-5-bis[di(propan-2-yl)amino]phosphinothioyl-3,4-dihydropyrazole-3-carboxylate
• CAS: 135928-85-7
• 化学式: C₂₉H₆₂BN₆O₂PS
• 分子量: 600.701
• InChiKey: BUVGUELFFHJWFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.32
• 重原子数：
  40.0
• 可旋转键数：
  15.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  54.86
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  C-{bis(diisopropylamino)thioxophosphoranyl}-N-{bis(diisopropylamino)boryl}nitrilimine 、 丙烯酸甲酯（MA） 以 甲苯 为溶剂， 以90%的产率得到methyl 2-bis[di(propan-2-yl)amino]boranyl-5-bis[di(propan-2-yl)amino]phosphinothioyl-3,4-dihydropyrazole-3-carboxylate
  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