2-phenyl-4,4-bis(trifluoromethyl)-4,5-dihydrospiro[[1,3,2]benzodioxaphosphepine-2,2'-phenanthro[9,10-d][1,3,2]dioxaphosphol]-5-one | 1350611-09-4

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 2-phenyl-4,4-bis(trifluoromethyl)-4,5-dihydrospiro[[1,3,2]benzodioxaphosphepine-2,2'-phenanthro[9,10-d][1,3,2]dioxaphosphol]-5-one
• 英文别名: 2-phenyl-4,4-bis(trifluoromethyl)spiro[1,3,2λ5-benzodioxaphosphepine-2,4'-3,5-dioxa-4λ5-phosphatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7,9,11,13,15-heptaene]-5-one
• CAS: 1350611-09-4
• 化学式: C₃₀H₁₇F₆O₅P
• 分子量: 602.426
• InChiKey: RJOKDNPVZJOGRH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.4
• 重原子数：
  42
• 可旋转键数：
  1
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  2-phenyl-4,4-bis(trifluoromethyl)-4,5-dihydrospiro[[1,3,2]benzodioxaphosphepine-2,2'-phenanthro[9,10-d][1,3,2]dioxaphosphol]-5-one 在 水 作用下， 以 氘代氯仿 为溶剂， 生成 9-hydroxyphenanthren-10-yl 2-(3,3,3-trifluoro-2-hydroxy-1-oxo-2-trifluoromethylpropyl)phenyl phenylphosphonate
  参考文献：
  名称：

  Reactions of 2-phenyl-4,4-bis(trifluoromethyl)-4,5-dihydro-1,3,2-benzodioxaphosphepin-5-one with phenanthrenequinone and dibenzoyl

  摘要：

  Reactions of 2-phenyl-4,4-bis(trifluoromethyl)-4,5-dihydro-1,3,2-benzodioxaphosphepin-5-one with 9,10-phenanthrenequinone and dibenzoyl gave hydrolytically unstable spirophosphoranes with five- and seven-membered rings, 2-phenyl-4,4-bis(trifluoromethyl)-4,5-dihydrospiro[[1,3,2]benzodioxaphosphepine-2,2'-phenanthro[9,10-d][1,3,2]dioxaphosphol]-5-one and 2,4',5'-triphenyl-4,4-bis(trifluoromethyl)-4,5-dihydrospiro[[1,3,2]benzodioxaphosphepine-2,2'-[1,3,2]dioxaphosphol]-5-one. The structure of the first of these was proved by X-ray analysis.

  DOI：

  10.1134/s1070428011100125
• 作为产物：
  描述：

  4,4-bis(trifluoromethyl)-4,5-dihydro-2-phenylbenzo[e]-1,3,2-dioxaphosphepin-5-one 、 菲醌 以 二氯甲烷 为溶剂， 反应 1461.0h， 以89%的产率得到2-phenyl-4,4-bis(trifluoromethyl)-4,5-dihydrospiro[[1,3,2]benzodioxaphosphepine-2,2'-phenanthro[9,10-d][1,3,2]dioxaphosphol]-5-one
  参考文献：
  名称：

  Reactions of 2-phenyl-4,4-bis(trifluoromethyl)-4,5-dihydro-1,3,2-benzodioxaphosphepin-5-one with phenanthrenequinone and dibenzoyl

  摘要：

  Reactions of 2-phenyl-4,4-bis(trifluoromethyl)-4,5-dihydro-1,3,2-benzodioxaphosphepin-5-one with 9,10-phenanthrenequinone and dibenzoyl gave hydrolytically unstable spirophosphoranes with five- and seven-membered rings, 2-phenyl-4,4-bis(trifluoromethyl)-4,5-dihydrospiro[[1,3,2]benzodioxaphosphepine-2,2'-phenanthro[9,10-d][1,3,2]dioxaphosphol]-5-one and 2,4',5'-triphenyl-4,4-bis(trifluoromethyl)-4,5-dihydrospiro[[1,3,2]benzodioxaphosphepine-2,2'-[1,3,2]dioxaphosphol]-5-one. The structure of the first of these was proved by X-ray analysis.

  DOI：

  10.1134/s1070428011100125