| 133832-10-7

• CAS: 133832-10-7
• 化学式: C₁₂BrCl₈O₄P
• 分子量: 602.631
• InChiKey: IDPXOFFCXGPPIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.68
• 重原子数：
  26.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  36.92
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  甲基锂 、 以 乙醚 为溶剂， 生成 4,4',5,5',6,6',7,7'-Octachlor-2-methyl-2,2'-spirobi
  参考文献：
  名称：

  Studies of the oxidation of elemental phosphorus by substituted ortho-benzoquinones

  摘要：

  The phosphorus compounds P(O2C6R)2Br (R = Cl4, Br4 or Bu2H2) have been prepared by the reaction of P4, Br2 and the substituted o-benzoquinone RC6O2-o. There is no reaction between Bu2H2C6O2-o, P4 and Ph2Se2, but in the presence of catalytic quantities of Br2 the product is P(O2C6H2Bu2)2(SePh). ESR spectra identify the presence of the corresponding o-semiquinone species in these reactions. The C-13 and P-31 NMR spectra of these phosphoranes are reported, and compared with those of P(O2C6R)X3 (X3 = Ph3, Ph2Cl, Br3 or Cl3) prepared by the reaction of PX3 and RC6O2-o.

  DOI：

  10.1039/dt9910000019
• 作为产物：
  描述：

  邻四氯苯醌 在 磷化氢 、 溴 作用下， 以 正己烷 为溶剂， 反应 6.0h， 生成
  参考文献：
  名称：

  Studies of the oxidation of elemental phosphorus by substituted ortho-benzoquinones

  摘要：

  The phosphorus compounds P(O2C6R)2Br (R = Cl4, Br4 or Bu2H2) have been prepared by the reaction of P4, Br2 and the substituted o-benzoquinone RC6O2-o. There is no reaction between Bu2H2C6O2-o, P4 and Ph2Se2, but in the presence of catalytic quantities of Br2 the product is P(O2C6H2Bu2)2(SePh). ESR spectra identify the presence of the corresponding o-semiquinone species in these reactions. The C-13 and P-31 NMR spectra of these phosphoranes are reported, and compared with those of P(O2C6R)X3 (X3 = Ph3, Ph2Cl, Br3 or Cl3) prepared by the reaction of PX3 and RC6O2-o.

  DOI：

  10.1039/dt9910000019