ethyl (2Z)-2-[[4-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]hydrazinylidene]-3-oxobutanoate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl (2Z)-2-[[4-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]hydrazinylidene]-3-oxobutanoate
• 化学式: C₁₅H₁₇N₅O₃S
• 分子量: 347.398
• InChiKey: DGRYPLPVIZPVEG-ATVHPVEESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.06
• 重原子数：
  24.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  101.37
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  4-甲氧基苯肼盐酸盐 、 ethyl (2Z)-2-[[4-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]hydrazinylidene]-3-oxobutanoate 在 溶剂黄146 作用下， 以67%的产率得到(4Z)-2-(4-methoxyphenyl)-5-methyl-4-[[4-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]hydrazinylidene]pyrazol-3-one
  参考文献：
  名称：

  Synthesis, characterization of novel coupling products and 4-arylhydrazono-2-pyrazoline-5-ones as potential antimycobacterial agents

  摘要：

  Novel coupling products 7a-d and 4-arylhydrazono-2 pyrazoline-5-ones 8a-e were synthesized and evaluated for antimycobacterial activity against Mycobacterium tuberculosis H37Rv and Mycobacterium avium. Compound 7b was found to be the most potent derivatives of the 7a-d series by an MIC value of 6.25 mug/ml. (C) 2002 Published by Editions scientifiques et medicales Elsevier SAS.

  DOI：

  10.1016/s0014-827x(02)01253-3
• 作为产物：
  描述：

  4-(苯甲酰基氨基)苯甲酸乙酯 在 盐酸 、 sodium hydroxide 、 一水合肼 、 sodium nitrite 作用下， 以 乙醇 为溶剂， 生成 ethyl (2Z)-2-[[4-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]hydrazinylidene]-3-oxobutanoate
  参考文献：
  名称：

  Synthesis, characterization of novel coupling products and 4-arylhydrazono-2-pyrazoline-5-ones as potential antimycobacterial agents

  摘要：

  Novel coupling products 7a-d and 4-arylhydrazono-2 pyrazoline-5-ones 8a-e were synthesized and evaluated for antimycobacterial activity against Mycobacterium tuberculosis H37Rv and Mycobacterium avium. Compound 7b was found to be the most potent derivatives of the 7a-d series by an MIC value of 6.25 mug/ml. (C) 2002 Published by Editions scientifiques et medicales Elsevier SAS.

  DOI：

  10.1016/s0014-827x(02)01253-3

文献信息

• Synthesis, characterization of novel coupling products and 4-arylhydrazono-2-pyrazoline-5-ones as potential antimycobacterial agents
  作者：Ş.Güniz Küçükgüzel、Sevim Rollas

  DOI：10.1016/s0014-827x(02)01253-3

  日期：2002.7

  Novel coupling products 7a-d and 4-arylhydrazono-2 pyrazoline-5-ones 8a-e were synthesized and evaluated for antimycobacterial activity against Mycobacterium tuberculosis H37Rv and Mycobacterium avium. Compound 7b was found to be the most potent derivatives of the 7a-d series by an MIC value of 6.25 mug/ml. (C) 2002 Published by Editions scientifiques et medicales Elsevier SAS.