(3-chlorobenzyl)(trifluoromethyl)sulfane

• 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-chlorobenzyl)(trifluoromethyl)sulfane
• 英文别名: 3-chloro-trifluoromethylthiomethylbenzene；(3-Chlorobenzyl)(trifluoromethyl) sulfide；1-chloro-3-(trifluoromethylsulfanylmethyl)benzene
• 化学式: C₈H₆ClF₃S
• 分子量: 226.65
• InChiKey: MAJSJVCZHXZBJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  三氟甲基硫醇（2,2-联吡啶）铜（I） 、 3-氯苄溴 以 乙腈 为溶剂， 反应 8.0h， 以89%的产率得到(3-chlorobenzyl)(trifluoromethyl)sulfane
  参考文献：
  名称：

  Room temperature nucleophilic trifluoromethylthiolation of benzyl bromides with (bpy)Cu(SCF3)

  摘要：

  The nudeophilic trifluoromethylthiolation of benzyl bromides using (bpy)Cu(SCF3) gave the desired products of benzyl trifluoromethyl sulfides in good to excellent yields. A diverse set of important functional groups including cyano, nitro, ester, alkoxy, halide, and heterocyclic groups can be well tolerated in the protocol. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.05.073

文献信息

• TRIFLUORO METHYLTHIOMETHYL BENZENE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME
  申请人：IHARA CHEMICAL INDUSTRY CO., LTD.

  公开号：EP1000933B1

  公开（公告）日：2006-08-02
• US6225505B1
  申请人：——

  公开号：US6225505B1

  公开（公告）日：2001-05-01
• Room temperature nucleophilic trifluoromethylthiolation of benzyl bromides with (bpy)Cu(SCF3)
  作者：Dedao Kong、Zhou Jiang、Shaogang Xin、Zhengshuai Bai、Yaofeng Yuan、Zhiqiang Weng

  DOI：10.1016/j.tet.2013.05.073

  日期：2013.7

  The nudeophilic trifluoromethylthiolation of benzyl bromides using (bpy)Cu(SCF3) gave the desired products of benzyl trifluoromethyl sulfides in good to excellent yields. A diverse set of important functional groups including cyano, nitro, ester, alkoxy, halide, and heterocyclic groups can be well tolerated in the protocol. (C) 2013 Elsevier Ltd. All rights reserved.