3-chloro-N-methylbenzenecarbothioamide | 1290535-17-9

• 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-N-methylbenzenecarbothioamide
• CAS: 1290535-17-9
• 化学式: C₈H₈ClNS
• 分子量: 185.677
• InChiKey: QUPUDUGRXBAZNH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.23
• 重原子数：
  11.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  12.03
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  3-氯苯腈 、 甲胺 在 ammonium sulfide 、 1,6-bis(3-methylimidazolium-1-yl)hexane dichloride 作用下， 反应 0.22h， 以95%的产率得到3-chloro-N-methylbenzenecarbothioamide
  参考文献：
  名称：

  Efficient and Green Protocol for the Synthesis of thioamides in C6(mim)2Cl2 as a dicationic ionic liquid

  摘要：

  A simple, efficient, facile and eco-friendly process for the synthesis of thioamides from nitriles using 1,6-bis(3-methylimidazolium-1-yl)hexane chloride [C-6(mim)(2)Cl-2] as a dicationic ionic liquid (DIL) was developed. The ionic liquid was easily separated from the reaction mixture and was recycled at least four times without any loss of its activity.

  DOI：

  10.1007/bf03246065

文献信息

• Efficient and Green Protocol for the Synthesis of thioamides in C6(mim)2Cl2 as a dicationic ionic liquid
  作者：A. R. Khosropour、J. Noei、A. Mirjafari

  DOI：10.1007/bf03246065

  日期：2010.9

  A simple, efficient, facile and eco-friendly process for the synthesis of thioamides from nitriles using 1,6-bis(3-methylimidazolium-1-yl)hexane chloride [C-6(mim)(2)Cl-2] as a dicationic ionic liquid (DIL) was developed. The ionic liquid was easily separated from the reaction mixture and was recycled at least four times without any loss of its activity.