2-methoxy-6-chloro-1,3,2-benzodioxaphosphinin-4-one | 918475-72-6

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: 2-methoxy-6-chloro-1,3,2-benzodioxaphosphinin-4-one
• 英文别名: 6-Chloro-2-methoxy-2H,4H-1,3,2-benzodioxaphosphinin-4-one；6-chloro-2-methoxy-1,3,2-benzodioxaphosphinin-4-one
• CAS: 918475-72-6
• 化学式: C₈H₆ClO₄P
• 分子量: 232.56
• InChiKey: FCCAEOMELRFOCU-UHFFFAOYSA-N

物化性质

• 沸点：
  102-104 °C(Press: 0.02 Torr)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-methoxy-6-chloro-1,3,2-benzodioxaphosphinin-4-one 、 六氟丙酮 以 四氯化碳 为溶剂， 以86%的产率得到2-methoxy-2,5-dioxo-4,4-bis(trifluoromethyl)-7-chloro-1,3,2λ⁵-benzodioxaphosphepine
  参考文献：
  名称：

  Preparation and steric structure of 2-Alkoxy-2,5-dioxo-4,4-bis(trifluoromethyl)-7(8)-chloro-1,3,2λ5-benzodioxaphosphepins

  摘要：

  The reaction of hexafluoroacetone with 2-alkoxy-6(7)-chloro-1,3,2-benzodioxaphosphorin-4-ones yielded 7- and 8-chloro-substituted 2-alkoxy-2,5-dioxo-4,4-bis(trifluoromethyl)-1,3,2 lambda(5)-benzodioxaphosphepines. Their steric structure was studied by single-crystal X-ray diffraction. The effect of fluorinated substituents on the crystal packing of the benzophosphepines was demonstrated. Hydrolysis of these compounds gave the corresponding 4- and 5-chloro-substituted 2-(2-hydroxyphenyl)-2-oxo-1,1-bis(trifluoromethyl)-ethanols; the structure of 2-(2-hydroxy-5-chlorophenyl)-2-oxo-1,1-bis(trifluoromethyl)ethanol was also proved by single-crystal X-ray diffraction.

  DOI：

  10.1134/s1070363206030145
• 作为产物：
  描述：

  甲醇 、 2,6-dichloro-1,3,2-benzodioxaphosphinin-4-one 在 三乙胺 作用下， 以 乙醚 为溶剂， 以52%的产率得到2-methoxy-6-chloro-1,3,2-benzodioxaphosphinin-4-one
  参考文献：
  名称：

  Preparation and steric structure of 2-Alkoxy-2,5-dioxo-4,4-bis(trifluoromethyl)-7(8)-chloro-1,3,2λ5-benzodioxaphosphepins

  摘要：

  The reaction of hexafluoroacetone with 2-alkoxy-6(7)-chloro-1,3,2-benzodioxaphosphorin-4-ones yielded 7- and 8-chloro-substituted 2-alkoxy-2,5-dioxo-4,4-bis(trifluoromethyl)-1,3,2 lambda(5)-benzodioxaphosphepines. Their steric structure was studied by single-crystal X-ray diffraction. The effect of fluorinated substituents on the crystal packing of the benzophosphepines was demonstrated. Hydrolysis of these compounds gave the corresponding 4- and 5-chloro-substituted 2-(2-hydroxyphenyl)-2-oxo-1,1-bis(trifluoromethyl)-ethanols; the structure of 2-(2-hydroxy-5-chlorophenyl)-2-oxo-1,1-bis(trifluoromethyl)ethanol was also proved by single-crystal X-ray diffraction.

  DOI：

  10.1134/s1070363206030145

文献信息

• Preparation and steric structure of 2-Alkoxy-2,5-dioxo-4,4-bis(trifluoromethyl)-7(8)-chloro-1,3,2λ5-benzodioxaphosphepins
  作者：Yu. Yu. Kotorova、A. T. Gubaidullin、V. F. Mironov、L. M. Burnaeva、A. B. Dobrynin、R. Z. Musin、I. A. Litvinov、I. V. Konovalova

  DOI：10.1134/s1070363206030145

  日期：2006.3

  The reaction of hexafluoroacetone with 2-alkoxy-6(7)-chloro-1,3,2-benzodioxaphosphorin-4-ones yielded 7- and 8-chloro-substituted 2-alkoxy-2,5-dioxo-4,4-bis(trifluoromethyl)-1,3,2 lambda(5)-benzodioxaphosphepines. Their steric structure was studied by single-crystal X-ray diffraction. The effect of fluorinated substituents on the crystal packing of the benzophosphepines was demonstrated. Hydrolysis of these compounds gave the corresponding 4- and 5-chloro-substituted 2-(2-hydroxyphenyl)-2-oxo-1,1-bis(trifluoromethyl)-ethanols; the structure of 2-(2-hydroxy-5-chlorophenyl)-2-oxo-1,1-bis(trifluoromethyl)ethanol was also proved by single-crystal X-ray diffraction.