4-(1,3-Benzothiazol-2-yl)-2-(4-methylphenyl)-1,3-oxazol-5-amine | 1092296-74-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(1,3-Benzothiazol-2-yl)-2-(4-methylphenyl)-1,3-oxazol-5-amine
• CAS: 1092296-74-6
• 化学式: C₁₇H₁₃N₃OS
• 分子量: 307.376
• InChiKey: NGKXVZHTGNEFJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  93.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-{2,2-bis[(2-aminophenyl)sulfanyl]-1-cyanoethenyl}-4-methylbenzamide 150.0 ℃ 、2.67 kPa 条件下， 生成 4-(1,3-Benzothiazol-2-yl)-2-(4-methylphenyl)-1,3-oxazol-5-amine
  参考文献：
  名称：

  Reaction of 2-acylamino-3,3-dichloroacrylonitriles with 2-aminothiophenol

  摘要：

  Reactions of 2-acylamino-3,3-dichloroacrylonitriles with 2-aminothiophenol in the presence of triethylamine was shown to lead to 2-aryl-3,3-bis(2-aminophenylsulfanyl)acrylonitrile, which suffered a transformation into 5-amino-4-(benzothiazol-2-yl)oxazole derivatives at heating without solvent. The formation of the same compounds from these reagents proceeded in one step in the presence of N,N-dimethylaniline. The presence of primary amino groups in the derivatives of 5-aminooxazole was confirmed by acylation and further transformation, which was used also for indroduction of various biophoric sites in 5 position of the oxazole ring.

  DOI：

  10.1134/s1070363210090136