5,6-benzo-4-diphenylthiophosphoryl-2-phenyl-1,3-dioxa-2-boracyclohexane | 141521-51-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5,6-benzo-4-diphenylthiophosphoryl-2-phenyl-1,3-dioxa-2-boracyclohexane
• 英文别名: diphenyl-(2-phenyl-4H-1,3,2-benzodioxaborinin-4-yl)-sulfanylidene-λ5-phosphane
• CAS: 141521-51-9
• 化学式: C₂₅H₂₀BO₂PS
• 分子量: 426.283
• InChiKey: LRBAUMRRAVPSPU-UHFFFAOYSA-N

物化性质

• 沸点：
  542.6±60.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.62
• 重原子数：
  30.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  5,6-benzo-4-diphenylthiophosphoryl-2-phenyl-1,3-dioxa-2-boracyclohexane 在 pyridine 作用下， 以 吡啶 为溶剂， 以36%的产率得到5,6-benzo-4-diphenylthiophosphoryl-2-phenyl-2-pyridyl-1,3-dioxa-2-boracyclohexane
  参考文献：
  名称：

  Dioxaborinanes with an exocyclic phosphino group

  摘要：

  The reaction of diphenylphosphine with o-hydroxy aromatic aldehydes and a diphenylboric acid ester in the presence of tertiary amines gave ammonium 5,6-benzo- and 5,6-naphtho-4-diphenylphosphoryl-2,2-diphenyl-1,3-dioxa-2-boratacyclohexanes. The borylation of (alpha,2-dihydroxybenzyl)diphenylphosphine, generated in situ, with isobutyl phenylborate gave 5,6-benzo-4-diphenylphosphino-2-phenyl-1,3-dioza-2-boracyclohexane, which, in contrast to 1,3,2,5-dioxaboraphosphorinanes, has a high reactivity with respect: to electrophilic and nucleophilic reagents and adds oxygen, sulfur, selenium, and pyridine to give the corresponding derivatives.

  DOI：

  10.1007/bf00863936
• 作为产物：
  描述：

  diisobutyl phenylborate 以 苯 为溶剂， 生成 5,6-benzo-4-diphenylthiophosphoryl-2-phenyl-1,3-dioxa-2-boracyclohexane
  参考文献：
  名称：

  Dioxaborinanes with an exocyclic phosphino group

  摘要：

  The reaction of diphenylphosphine with o-hydroxy aromatic aldehydes and a diphenylboric acid ester in the presence of tertiary amines gave ammonium 5,6-benzo- and 5,6-naphtho-4-diphenylphosphoryl-2,2-diphenyl-1,3-dioxa-2-boratacyclohexanes. The borylation of (alpha,2-dihydroxybenzyl)diphenylphosphine, generated in situ, with isobutyl phenylborate gave 5,6-benzo-4-diphenylphosphino-2-phenyl-1,3-dioza-2-boracyclohexane, which, in contrast to 1,3,2,5-dioxaboraphosphorinanes, has a high reactivity with respect: to electrophilic and nucleophilic reagents and adds oxygen, sulfur, selenium, and pyridine to give the corresponding derivatives.

  DOI：

  10.1007/bf00863936