2-phenyl-4-diphenylphosphoryl-4H-1,3-dioxa-2-boraphenanthrene | 165333-36-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-phenyl-4-diphenylphosphoryl-4H-1,3-dioxa-2-boraphenanthrene
• 英文别名: 1-diphenylphosphoryl-3-phenyl-1H-benzo[f][1,3,2]benzodioxaborinine
• CAS: 165333-36-8
• 化学式: C₂₉H₂₂BO₃P
• 分子量: 460.277
• InChiKey: RLJZGLSXJRUGGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.66
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  diisobutyl phenylborate 在 1,2-naphthoquinone 作用下， 以 苯 为溶剂， 生成 2-phenyl-4-diphenylphosphoryl-4H-1,3-dioxa-2-boraphenanthrene
  参考文献：
  名称：

  Synthesis and some properties of planar 4-diphenylphosphino-1,3,2-dioxaborinanes

  摘要：

  Fused 1,3,2-dioxaborinanes, derivatives of 4-diphenylphosphino- and 4-diphenylphosphoryl-4H-1,3-dioxa-2-boraphenanthrenes, and their complexes with amines have been synthesized. According to X-ray diffraction data, the complex of 2-phenyl-4-diphenylphosphoryl-4H-1,3-dioxa-2-boraphenanthrene with butylamine exists as a dimer due to the formation of intermolecular hydrogen bonds.

  DOI：

  10.1007/bf00697150

文献信息

• Baluewa A. S., Ajupowa E. I., Nikonow G. N., Strutschkow Ju. T., Pisarews+, Isw. AN. Ser. khim, (1994) N 9, S 1649-1655
  作者：Baluewa A. S., Ajupowa E. I., Nikonow G. N., Strutschkow Ju. T., Pisarews+

  DOI：——

  日期：——
• Synthesis and some properties of planar 4-diphenylphosphino-1,3,2-dioxaborinanes
  作者：A. S. Balueva、E. I. Ayupova、G. N. Nikonov、Yu. T. Struchkov、A. P. Pisarevskii

  DOI：10.1007/bf00697150

  日期：1994.9

  Fused 1,3,2-dioxaborinanes, derivatives of 4-diphenylphosphino- and 4-diphenylphosphoryl-4H-1,3-dioxa-2-boraphenanthrenes, and their complexes with amines have been synthesized. According to X-ray diffraction data, the complex of 2-phenyl-4-diphenylphosphoryl-4H-1,3-dioxa-2-boraphenanthrene with butylamine exists as a dimer due to the formation of intermolecular hydrogen bonds.