(E)-N'-(3,4-dimethoxybenzylidene)-3-(4-chlorophenyl)-1H-pyrazole-5-carbohydrazide | 1393587-68-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (E)-N'-(3,4-dimethoxybenzylidene)-3-(4-chlorophenyl)-1H-pyrazole-5-carbohydrazide
• 英文别名: (E)-3-(4-chlorophenyl)-N'-(3,4-dimethoxybenzylidene)-1H-pyrazole-5-carbohydrazide；3-(4-chlorophenyl)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
• CAS: 1393587-68-2
• 化学式: C₁₉H₁₇ClN₄O₃
• 分子量: 384.822
• InChiKey: NKECWCMPZSQSAV-SRZZPIQSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  88.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (E)-N'-(3,4-dimethoxybenzylidene)-3-(4-chlorophenyl)-1H-pyrazole-5-carbohydrazide 、 巯基乙酸 在 sodium acetate 、 溶剂黄146 作用下， 反应 10.0h， 以37%的产率得到(+/-)-3-(4-chlorophenyl)-N-(2-(3,4-dimethoxyphenyl)-4-oxothiazolidin-3-yl)-1H-pyrazole-5-carboxamide
  参考文献：
  名称：

  Synthesis, antitubercular and antimicrobial evaluation of 3-(4-chlorophenyl)-4-substituted pyrazole derivatives

  摘要：

  As a part of our research to develop novel antitubercular and antimicrobial agents, a series of 3-(4-chlorophenyl)-4-substituted pyrazoles have been synthesised. These compounds were tested for antitubercular activity in vitro against Mycobacterium tuberculosis H37Rv strain using the BACTEC 460 radiometric system, antifungal activity against a pathogenic strain of fungi and antibacterial activity against grampositive and gram-negative organisms. Among them tested, many compounds showed good to excellent antimicrobial and antitubercular activity. The results suggest that hydrazones, 2-azetidinones and 4-thiazolidinones bearing a core pyrazole scaffold would be potent antimicrobial and antitubercular agents. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.05.063
• 作为产物：
  描述：

  4-(4-氯苯基)-2,4-二氧代丁酸乙酯 在 一水合肼 、 溶剂黄146 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 12.0h， 生成 (E)-N'-(3,4-dimethoxybenzylidene)-3-(4-chlorophenyl)-1H-pyrazole-5-carbohydrazide
  参考文献：
  名称：

  Synthesis, antitubercular and antimicrobial evaluation of 3-(4-chlorophenyl)-4-substituted pyrazole derivatives

  摘要：

  As a part of our research to develop novel antitubercular and antimicrobial agents, a series of 3-(4-chlorophenyl)-4-substituted pyrazoles have been synthesised. These compounds were tested for antitubercular activity in vitro against Mycobacterium tuberculosis H37Rv strain using the BACTEC 460 radiometric system, antifungal activity against a pathogenic strain of fungi and antibacterial activity against grampositive and gram-negative organisms. Among them tested, many compounds showed good to excellent antimicrobial and antitubercular activity. The results suggest that hydrazones, 2-azetidinones and 4-thiazolidinones bearing a core pyrazole scaffold would be potent antimicrobial and antitubercular agents. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.05.063