3-chloro-2,4-difluorobenzenesulfonyl fluoride

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-chloro-2,4-difluorobenzenesulfonyl fluoride
• 英文别名: 3-Chloro-2,4-difluorobenzene-1-sulfonyl fluoride
• 化学式: C₆H₂ClF₃O₂S
• 分子量: 230.595
• InChiKey: NVXAPNQXZMRRLE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  42.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-chloro-2,4-difluorobenzenesulfonyl fluoride 在 盐酸 、 硫酸 、 sodium acetate 、 溶剂黄146 作用下， 以 环丁砜 、 水 为溶剂， 反应 6.0h， 生成 2,6-二氟氯苯
  参考文献：
  名称：

  A Convenient Synthesis of High-Purity 1-Chloro-2,6-difluorobenzene

  摘要：

  A convenient preparation of high-purity 1-chloro-2,6-difluorobenzene has been developed. The key to the isolation of the desired isomer, without contamination of the difficult-to-separate isomer 1-chloro-2,3-difluorobenzene, is the use of sulfonyl chloride to direct fluorine substitution to the ortho and para positions of the aryl ring. Although activation with sulfonyl chloride requires additional reaction steps, the process results in good overall yield and requires only low-cost commodity chemicals. The high-purity 1-chloro-2,6-difluorobenzene is useful as an intermediate for active ingredients in agricultural and pharmaceutical applications.

  DOI：

  10.1021/op0340816
• 作为产物：
  描述：

  三氯苯 在 氯磺酸 、 potassium fluoride 作用下， 以 环丁砜 为溶剂， 反应 7.0h， 生成 3-chloro-2,4-difluorobenzenesulfonyl fluoride
  参考文献：
  名称：

  A Convenient Synthesis of High-Purity 1-Chloro-2,6-difluorobenzene

  摘要：

  A convenient preparation of high-purity 1-chloro-2,6-difluorobenzene has been developed. The key to the isolation of the desired isomer, without contamination of the difficult-to-separate isomer 1-chloro-2,3-difluorobenzene, is the use of sulfonyl chloride to direct fluorine substitution to the ortho and para positions of the aryl ring. Although activation with sulfonyl chloride requires additional reaction steps, the process results in good overall yield and requires only low-cost commodity chemicals. The high-purity 1-chloro-2,6-difluorobenzene is useful as an intermediate for active ingredients in agricultural and pharmaceutical applications.

  DOI：

  10.1021/op0340816

文献信息

• US4369145A
  申请人：——

  公开号：US4369145A

  公开（公告）日：1983-01-18
• A Convenient Synthesis of High-Purity 1-Chloro-2,6-difluorobenzene
  作者：Robert M. Moore

  DOI：10.1021/op0340816

  日期：2003.11.1

  A convenient preparation of high-purity 1-chloro-2,6-difluorobenzene has been developed. The key to the isolation of the desired isomer, without contamination of the difficult-to-separate isomer 1-chloro-2,3-difluorobenzene, is the use of sulfonyl chloride to direct fluorine substitution to the ortho and para positions of the aryl ring. Although activation with sulfonyl chloride requires additional reaction steps, the process results in good overall yield and requires only low-cost commodity chemicals. The high-purity 1-chloro-2,6-difluorobenzene is useful as an intermediate for active ingredients in agricultural and pharmaceutical applications.