2-Thio-3-m-tolyl-4-amino-5-aethoxycarbonyl-Δ⁴-thiazolin | 57036-94-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-Thio-3-m-tolyl-4-amino-5-aethoxycarbonyl-Δ⁴-thiazolin
• 英文别名: 4-amino-2-thioxo-3-m-tolyl-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester；Ethyl 4-amino-3-(3-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate；ethyl 4-amino-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
• CAS: 57036-94-9
• 化学式: C₁₃H₁₄N₂O₂S₂
• 分子量: 294.398
• InChiKey: STFGHAWJRGWXPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  113
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-Thio-3-m-tolyl-4-amino-5-aethoxycarbonyl-Δ⁴-thiazolin 、 硫代异氰酸苯酯 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 15.0h， 以68%的产率得到3-(m-Tolyl)-6-phenyl-5-sulfanyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one
  参考文献：
  名称：

  Potential anti-microbials. I. Synthesis and structure-activity studies of some new thiazolo[4,5-d]pyrimidine derivatives

  摘要：

  The synthesis of several 2,3-dihydro-3,6-diaryl-5-mercapto-2-thioxothiazolo[4,5-d]pyrimidin-7(6H)-ones and related compounds are discussed. Some members of the series displayed broad in vitro anti-bacterial and anti-fungal activities. Three compounds were screened for anti-HIV potency but were inactive.

  DOI：

  10.1016/0223-5234(93)90001-u
• 作为产物：
  描述：

  氰乙酸乙酯 、 间甲苯异硫氰酸酯 在 sulfur 作用下， 以67%的产率得到2-Thio-3-m-tolyl-4-amino-5-aethoxycarbonyl-Δ⁴-thiazolin
  参考文献：
  名称：

  Potential anti-microbials. I. Synthesis and structure-activity studies of some new thiazolo[4,5-d]pyrimidine derivatives

  摘要：

  The synthesis of several 2,3-dihydro-3,6-diaryl-5-mercapto-2-thioxothiazolo[4,5-d]pyrimidin-7(6H)-ones and related compounds are discussed. Some members of the series displayed broad in vitro anti-bacterial and anti-fungal activities. Three compounds were screened for anti-HIV potency but were inactive.

  DOI：

  10.1016/0223-5234(93)90001-u

文献信息

• Devani,M.B. et al., Indian Journal of Chemistry, 1975, vol. 13, p. 532 - 533
  作者：Devani,M.B. et al.

  DOI：——

  日期：——