4-氯-2-(苯基硫代)苯并噻唑 | 40427-66-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: 4-氯-2-(苯基硫代)苯并噻唑
• 英文名称: 2-(phenylthio)-4-chlorobenzo[d]thiazole
• 英文别名: 4-Chloro-2-(phenylthio)benzothiazole；4-chloro-2-phenylsulfanyl-1,3-benzothiazole
• CAS: 40427-66-5
• 化学式: C₁₃H₈ClNS₂
• 分子量: 277.798
• InChiKey: CXNIKATUXOZKJB-UHFFFAOYSA-N

物化性质

• 沸点：
  431.9±37.0 °C(Predicted)
• 密度：
  1.44±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  66.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-氯苯并噻唑 、 苯硫酚 在 [(IPr)CuI] 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以82%的产率得到4-氯-2-(苯基硫代)苯并噻唑
  参考文献：
  名称：

  N-heterocyclic carbene copper(I) complex-catalyzed direct C–H thiolation of benzothiazoles

  摘要：

  N-heterocyclic carbene (NHC) copper(I) complexes based on imidazol-2-ylidene and 1,2,3-triazol-5-ylidene catalyzed the direct C-H thiolation of benzothiazoles and benzoxazoles with aryl and alkyl thiols to give 2-aryl and 2-alkylthiobenzothiazoles in moderate-to-good yields. The NHC copper(I) complex [(IPr)CuI] was the most effective catalyst for the reaction among the NHC-Cu(I) complexes examined in this study. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.06.104

文献信息

• N-heterocyclic carbene copper(I) complex-catalyzed direct C–H thiolation of benzothiazoles
  作者：Hiroshi Inomata、Ayumi Toh、Takashi Mitsui、Shin-ichi Fukuzawa

  DOI：10.1016/j.tetlet.2013.06.104

  日期：2013.8

  N-heterocyclic carbene (NHC) copper(I) complexes based on imidazol-2-ylidene and 1,2,3-triazol-5-ylidene catalyzed the direct C-H thiolation of benzothiazoles and benzoxazoles with aryl and alkyl thiols to give 2-aryl and 2-alkylthiobenzothiazoles in moderate-to-good yields. The NHC copper(I) complex [(IPr)CuI] was the most effective catalyst for the reaction among the NHC-Cu(I) complexes examined in this study. (C) 2013 Elsevier Ltd. All rights reserved.