Methyl 2-(4-nitrobenzamido)benzo[d]thiazole-6-carboxylate | 519019-35-3

• 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: Methyl 2-(4-nitrobenzamido)benzo[d]thiazole-6-carboxylate
• 英文别名: methyl 2-[(4-nitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylate
• CAS: 519019-35-3
• 化学式: C₁₆H₁₁N₃O₅S
• 分子量: 357.346
• InChiKey: VCURPGZGRZRRQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  142
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  methyl 3-bromo-4-(3-(4-nitrobenzoyl)thioureido)benzoate 在 copper(l) iodide caesium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 15.0h， 以78%的产率得到Methyl 2-(4-nitrobenzamido)benzo[d]thiazole-6-carboxylate
  参考文献：
  名称：

  Synthesis of N-benzothiazol-2-yl-amides by a copper-catalyzed intramolecular cyclization process

  摘要：

  Employing N-(4,5-dihydrooxazol-2-yl)benzamide as novel and efficient ligand, the copper-catalyzed intramolecular cyclization of various substituted 1-acyl-3-(2-bromophenyl)thioureas could be successfully carried out under mild conditions. A variety of N-benzothiazol-2-yl-amides were synthesized in good to excellent yields. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.11.100

文献信息

• Synthesis of N-benzothiazol-2-yl-amides by a copper-catalyzed intramolecular cyclization process
  作者：Junke Wang、Feng Peng、Ju-li Jiang、Zhi-jin Lu、Le-yong Wang、Junfeng Bai、Yi Pan

  DOI：10.1016/j.tetlet.2007.11.100

  日期：2008.1

  Employing N-(4,5-dihydrooxazol-2-yl)benzamide as novel and efficient ligand, the copper-catalyzed intramolecular cyclization of various substituted 1-acyl-3-(2-bromophenyl)thioureas could be successfully carried out under mild conditions. A variety of N-benzothiazol-2-yl-amides were synthesized in good to excellent yields. (C) 2007 Elsevier Ltd. All rights reserved.