Isonicotinic acid [1-amino-2-(3-chloro-phenoxy)-eth-(E)-ylidene]-hydrazide | 261362-99-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: Isonicotinic acid [1-amino-2-(3-chloro-phenoxy)-eth-(E)-ylidene]-hydrazide
• 英文别名: N-[(E)-[1-amino-2-(3-chlorophenoxy)ethylidene]amino]pyridine-4-carboxamide
• CAS: 261362-99-6
• 化学式: C₁₄H₁₃ClN₄O₂
• 分子量: 304.736
• InChiKey: OAHUJIIRNLMQSU-UHFFFAOYSA-N

物化性质

• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  89.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-吡啶甲醛 、 Isonicotinic acid [1-amino-2-(3-chloro-phenoxy)-eth-(E)-ylidene]-hydrazide 在 哌啶 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以67%的产率得到Isonicotinic acid [2-(3-chloro-phenoxy)-1-{[1-pyridin-4-yl-meth-(E)-ylidene]-amino}-eth-(E)-ylidene]-hydrazide
  参考文献：
  名称：

  Synthesis and antimycobacterial activity of some isonicotinoylhydrazones

  摘要：

  A series of isonicotinoylhydrazones 2 were prepared by addition of some aryloxyacetonitriles with isonicotinoylhydrazine in basic medium. These compounds have been further reacted with pyridinecarboxaldehydes to give the corresponding pyridylmethyleneamino derivatives 3-5. The new synthesized hydrazones and their pyridylmethyleneamino derivatives were tested for their activity against mycobacteria, Gram-positive and Gram-negative bacteria. The cytotoxicity was also tested. Several compounds showed a good activity against Mycobacterium tuberculosis H37Rv and some isonycotinoylhydrazones 2 showed a moderate activity against a clinically isolated M. tuberculosis which was isoniazid resistant. (C) 1999 Editions scientifiques et medicales Elsevier SAS.

  DOI：

  10.1016/s0223-5234(99)00124-5
• 作为产物：
  描述：

  异烟肼 、 3-氯苯氧乙腈 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 1.0h， 以64%的产率得到Isonicotinic acid [1-amino-2-(3-chloro-phenoxy)-eth-(E)-ylidene]-hydrazide
  参考文献：
  名称：

  Synthesis and antimycobacterial activity of some isonicotinoylhydrazones

  摘要：

  A series of isonicotinoylhydrazones 2 were prepared by addition of some aryloxyacetonitriles with isonicotinoylhydrazine in basic medium. These compounds have been further reacted with pyridinecarboxaldehydes to give the corresponding pyridylmethyleneamino derivatives 3-5. The new synthesized hydrazones and their pyridylmethyleneamino derivatives were tested for their activity against mycobacteria, Gram-positive and Gram-negative bacteria. The cytotoxicity was also tested. Several compounds showed a good activity against Mycobacterium tuberculosis H37Rv and some isonycotinoylhydrazones 2 showed a moderate activity against a clinically isolated M. tuberculosis which was isoniazid resistant. (C) 1999 Editions scientifiques et medicales Elsevier SAS.

  DOI：

  10.1016/s0223-5234(99)00124-5