5-methyl-1-(4,5,6, 7-tetrahydrobenzo[d]thiazol-2-yl)-1H-1,2,3-triazole-4-carboxylic acid | 1210478-23-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-methyl-1-(4,5,6, 7-tetrahydrobenzo[d]thiazol-2-yl)-1H-1,2,3-triazole-4-carboxylic acid
• 英文别名: 5-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-1,2,3-triazole-4-carboxylic acid；5-Methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazole-4-carboxylic acid
• CAS: 1210478-23-1
• 化学式: C₁₁H₁₂N₄O₂S
• 分子量: 264.308
• InChiKey: XWDKUXDPTHRDFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  109
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-Azido-4,5,6,7-tetrahydro-1,3-benzothiazole 在 水 、 potassium carbonate 、 sodium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 生成 5-methyl-1-(4,5,6, 7-tetrahydrobenzo[d]thiazol-2-yl)-1H-1,2,3-triazole-4-carboxylic acid
  参考文献：
  名称：

  Evaluation of the antiproliferative activity of selected 1,2,3-triazole-4-carboxylic acids — key fragments and precursors of antitumor 1,2,3-triazole-4-carboxamides

  摘要：

  DOI：

  10.7124/bc.000a5c

文献信息

• Synthesis of 2-Azido-1,3-thiazoles as 1,2,3-Triazole Precursors
  作者：Nazariy T. Pokhodylo、Roman D. Savka、Nazar I. Pidlypnyi、Vasyl S. Matiychuk、Mykola D. Obushak

  DOI：10.1080/00397910902981274

  日期：2010.1.14

  By diazotization of 2-aminothiazoles and reaction with sodium azide, the derivatives of 2-azidothiazole were synthesized. Conditions of diazotization were selected according to the nature of a substituent in thiazoles. 2-Azidothiazole derivatives were studied in the base-catalysed condensation reactions with activated methylenic compounds to yield new 1-(1,3-thiazol-2-yl)-1H-1,2,3-triazole-4-carboxylic acids.