bis(4,5-benzo-1,3,2ς³-dioxaphospholano)dichloromethane | 197802-87-2

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: bis(4,5-benzo-1,3,2ς³-dioxaphospholano)dichloromethane
• 英文别名: 2-[1,3,2-benzodioxaphosphol-2-yl(dichloro)methyl]-1,3,2-benzodioxaphosphole
• CAS: 197802-87-2
• 化学式: C₁₃H₈Cl₂O₄P₂
• 分子量: 361.058
• InChiKey: CLSFENQWVKTAJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.64
• 重原子数：
  21.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 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：

  邻四氯苯醌 、 bis(4,5-benzo-1,3,2ς³-dioxaphospholano)dichloromethane 以 二氯甲烷 为溶剂， 反应 2.0h， 以82%的产率得到4',5',6',7'-tetrachloro-2-[dichloro-(4',5',6',7'-tetrachloro-2,2'-spirobi[1,3,2λ5-benzodioxaphosphole]-2-yl)methyl]-2,2'-spirobi[1,3,2λ5-benzodioxaphosphole]
  参考文献：
  名称：

  Synthesis and Reactions of Bis (4,5‐benzo‐1,3‐dioxa‐2‐phospholano)dichlormethane

  摘要：

  AbstractThe title compound 3 was formed in the reaction of Cl2PCCl2PCl2 (2) with catechol in the presence of triethylamine. The reaction of 3 with tetrachloro‐o‐benzoquinone (TOB), 4, led to the σ3P/σ5P‐species 5, and the σ5P/σ5P‐species 6a/6b. 5 was stable only in solution, and its existence and identity are postulated on the basis of its 31P‐NMR spectrum. The structure of 6a/6b could not be assigned unambiguously to one isomer. The reaction of 6a/6b with water yielded the phosphorate 10. The structures of 3 and 10 were determined by single crystal X‐ray methods. A wide PCP angle (123.2°) was observed in 3. The cation of 10 is a centrosymmetric, protonated DMF dimer with OO 241.3 pm.

  DOI：

  10.1002/cber.19971301020
• 作为产物：
  描述：

  邻苯二酚 、 bis(dichlorophosphanyl)dichloromethane 在 三乙胺 作用下， 以 乙醚 为溶剂， 反应 2.0h， 以35%的产率得到bis(4,5-benzo-1,3,2ς³-dioxaphospholano)dichloromethane
  参考文献：
  名称：

  Synthesis and Reactions of Bis (4,5‐benzo‐1,3‐dioxa‐2‐phospholano)dichlormethane

  摘要：

  AbstractThe title compound 3 was formed in the reaction of Cl2PCCl2PCl2 (2) with catechol in the presence of triethylamine. The reaction of 3 with tetrachloro‐o‐benzoquinone (TOB), 4, led to the σ3P/σ5P‐species 5, and the σ5P/σ5P‐species 6a/6b. 5 was stable only in solution, and its existence and identity are postulated on the basis of its 31P‐NMR spectrum. The structure of 6a/6b could not be assigned unambiguously to one isomer. The reaction of 6a/6b with water yielded the phosphorate 10. The structures of 3 and 10 were determined by single crystal X‐ray methods. A wide PCP angle (123.2°) was observed in 3. The cation of 10 is a centrosymmetric, protonated DMF dimer with OO 241.3 pm.

  DOI：

  10.1002/cber.19971301020