3-(Chlorodifluoromethyl)benzoxazin-2(1H)-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 3-(Chlorodifluoromethyl)benzoxazin-2(1H)-one
• 英文别名: 3-[Chloro(difluoro)methyl]-1,4-benzoxazin-2-one
• 化学式: C₉H₄ClF₂NO₂
• 分子量: 231.586
• InChiKey: YTAOSMLRRJEDPI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-氨基苯酚 、 3-chloropentafluoropropene-1,2-oxide 在 碳酸氢钠 作用下， 以 乙醚 为溶剂， 以62.1%的产率得到3-(Chlorodifluoromethyl)benzoxazin-2(1H)-one
  参考文献：
  名称：

  Reactions of 3-chloropentafluoropropene-1,2-oxide with bifunctional nucleophiles: a new route to chlorodifluoromethyl-substituted heterocycles

  摘要：

  An optimized preparation of 3-chloropentafluoropropene-1,2-oxide via alkaline peroxide epoxidation of 3-chloropentafluoro-1-propene under phase transfer catalysis conditions is described. The title epoxide was reacted with various bifunctional nitrogen nucleophiles to give five-, six- and seven-membered-ring heterocycles with pendant chlorodifluoromethyl groups. The described methodology represents a novel approach to chlorodifluoromethylated heterocycles. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-1139(00)00403-6

文献信息

• Reactions of 3-chloropentafluoropropene-1,2-oxide with bifunctional nucleophiles: a new route to chlorodifluoromethyl-substituted heterocycles
  作者：Jaroslav Kvı́čala、Pavla Hovorková、Oldřich Paleta

  DOI：10.1016/s0022-1139(00)00403-6

  日期：2001.3

  An optimized preparation of 3-chloropentafluoropropene-1,2-oxide via alkaline peroxide epoxidation of 3-chloropentafluoro-1-propene under phase transfer catalysis conditions is described. The title epoxide was reacted with various bifunctional nitrogen nucleophiles to give five-, six- and seven-membered-ring heterocycles with pendant chlorodifluoromethyl groups. The described methodology represents a novel approach to chlorodifluoromethylated heterocycles. (C) 2001 Elsevier Science B.V. All rights reserved.