2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)benzo[d]thiazole | 107973-95-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)benzo[d]thiazole
• 英文别名: 2-(1,3-Benzodioxol-5-ylmethylsulfanyl)-1,3-benzothiazole
• CAS: 107973-95-5
• 化学式: C₁₅H₁₁NO₂S₂
• 分子量: 301.39
• InChiKey: UDJUEYQNYDTZAC-UHFFFAOYSA-N

物化性质

• 熔点：
  64-65 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
• 沸点：
  472.5±55.0 °C(Predicted)
• 密度：
  1.45±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  84.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  胡椒醇 、 2-巯基苯并噻唑 在 1-Methyl-3-pentylimidazolium hydrogensulfate 作用下， 以 乙腈 为溶剂， 反应 48.0h， 以72%的产率得到2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)benzo[d]thiazole
  参考文献：
  名称：

  Acidic-functionalized ionic liquid as an efficient, green, and metal-free catalyst for benzylation of sulfur, nitrogen, and carbon nucleophiles to benzylic alcohols

  摘要：

  A series of HSO4- functionalized ILs was synthesized and used as efficient, green, and metal-free catalysts for benzylation. Notably, the catalytic system has wide substrate scopes and the ionic liquid catalysts were applied to investigate three different types of nucleophiles to give the desired benzylation products with moderate to excellent yields. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.11.045

文献信息

• Acidic-functionalized ionic liquid as an efficient, green, and metal-free catalyst for benzylation of sulfur, nitrogen, and carbon nucleophiles to benzylic alcohols
  作者：Xue-Qiang Chu、Ran Jiang、Yi Fang、Zheng-Yang Gu、Hua Meng、Shun-Yi Wang、Shun-Jun Ji

  DOI：10.1016/j.tet.2012.11.045

  日期：2013.1

  A series of HSO4- functionalized ILs was synthesized and used as efficient, green, and metal-free catalysts for benzylation. Notably, the catalytic system has wide substrate scopes and the ionic liquid catalysts were applied to investigate three different types of nucleophiles to give the desired benzylation products with moderate to excellent yields. (C) 2012 Elsevier Ltd. All rights reserved.