3-chloro-N-cyclohexylbenzothioamide | 496035-03-1

• 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-cyclohexylbenzothioamide
• 英文别名: 3-chloro-N-cyclohexylbenzenecarbothioamide
• CAS: 496035-03-1
• 化学式: C₁₃H₁₆ClNS
• 分子量: 253.796
• InChiKey: GGTYJRYVWIDWHZ-UHFFFAOYSA-N

物化性质

• 沸点：
  362.5±44.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  44.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  3-氯甲苯 、 环己胺 在 叔丁基过氧化氢 、 N-溴代丁二酰亚胺(NBS) 、 sulfur 作用下， 以 neat (no solvent) 为溶剂， 反应 26.0h， 以65%的产率得到3-chloro-N-cyclohexylbenzothioamide
  参考文献：
  名称：

  Direct conversion of methylarenes into dithiocarbamates, thioamides and benzyl esters

  摘要：

  A new strategy for the synthesis of a variety of dithiocarbamates and thioamides has been developed employing inexpensive and readily available methylarenes under metal-free and solvent-free conditions. The approach offers a one-pot procedure and has also been extended to the synthesis of a diverse range of benzyl esters. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.04.041

文献信息

• Decarboxylative Thioamidation of Arylacetic and Cinnamic Acids: A New Approach to Thioamides
  作者：Tirumaleswararao Guntreddi、Rajeshwer Vanjari、Krishna Nand Singh

  DOI：10.1021/ol501482g

  日期：2014.7.18

  A new decarboxylative strategy has been developed for the synthesis of thioamides via a three-component reaction involving arylacetic or cinnamic acids, amines and elemental sulfur powder, without the need of a transition metal and an external oxidant.

  已经开发了一种新的脱羧策略，用于通过三组分反应合成硫代酰胺，该反应涉及芳酸或肉桂酸，胺和元素硫粉，而无需过渡金属和外部氧化剂。
• Direct conversion of methylarenes into dithiocarbamates, thioamides and benzyl esters
  作者：Tirumaleswararao Guntreddi、Rajeshwer Vanjari、Krishna Nand Singh

  DOI：10.1016/j.tet.2014.04.041

  日期：2014.6

  A new strategy for the synthesis of a variety of dithiocarbamates and thioamides has been developed employing inexpensive and readily available methylarenes under metal-free and solvent-free conditions. The approach offers a one-pot procedure and has also been extended to the synthesis of a diverse range of benzyl esters. (C) 2014 Elsevier Ltd. All rights reserved.