4,6,4',6'-tetra-tert-butyl-2-methyl-2λ⁵-[2,2']spirobi(benzo[1,3,2]dioxaphosphole) | 35188-70-6

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 4,6,4',6'-tetra-tert-butyl-2-methyl-2λ⁵-[2,2']spirobi(benzo[1,3,2]dioxaphosphole)
• 英文别名: bis(3,5-di-tert-butyl-1,2-dioxy)-methyl-phosphorane；4,4',6,6'-Tetratert-butyl-2-methyl-2,2'-spirobi[1,3,2lambda5-benzodioxaphosphole]；4,4',6,6'-tetratert-butyl-2-methyl-2,2'-spirobi[1,3,2λ5-benzodioxaphosphole]
• CAS: 35188-70-6
• 化学式: C₂₉H₄₃O₄P
• 分子量: 486.632
• InChiKey: XOLMCOXUKNODKR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.3
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3,5-二叔丁基邻苯醌 在 磷化氢 、 溴 作用下， 以 乙醚 、 正己烷 为溶剂， 反应 2.0h， 生成 4,6,4',6'-tetra-tert-butyl-2-methyl-2λ⁵-[2,2']spirobi(benzo[1,3,2]dioxaphosphole)
  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

文献信息

• Dioxabenzofluorophospholes containing more than one fluorine atom bonded to phosphorus
  作者：M. Eisenhut、R. Schmutzler

  DOI：10.1039/c29710001452

  日期：——

  The preparation and n.m.r. spectra of di- and tri-fluorophosphoranes, containing the 2,4-di-t-butyl-catechol ring system linked to five-co-ordinate phosphorus, are described.

  描述了含有与五坐标磷连接的2,4-二叔丁基-邻苯二酚环系统的二氟和三氟膦的制备和核磁共振光谱。
• Studies of the oxidation of elemental phosphorus by substituted ortho-benzoquinones
  作者：Theodore A. Annan、Zhigang Tian、Dennis G. Tuck

  DOI：10.1039/dt9910000019

  日期：——

  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.