benzoxazole-2-carboxylic acid (ethoxyphenylmethylene) hydrazide | 1445596-43-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: benzoxazole-2-carboxylic acid (ethoxyphenylmethylene) hydrazide
• CAS: 1445596-43-9
• 化学式: C₁₇H₁₅N₃O₃
• 分子量: 309.324
• InChiKey: ZLQBLMGDRDHRQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.96
• 重原子数：
  23.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  76.72
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  benzoxazole-2-carboxylic acid (ethoxyphenylmethylene) hydrazide 以 吡啶 为溶剂， 反应 5.0h， 以70%的产率得到2-(5-phenyl-[1,3,4]oxadiazol-2-yl)benzoxazole
  参考文献：
  名称：

  Design, synthesis and screening of some novel benzoxazole based 1,3,4-oxadiazoles as potential antimicrobial agents

  摘要：

  A series of novel 2-(5-substituted-[1,3,4]oxadiazol-2-yl)-benzoxazoles (7a-h) were synthesized in good yields in two different directions by involving benzoxazole-2-carboxylic acid (1) as raw material and benzoxazole-2-carbonyl chloride (2), benzoxazole-2-carboxylic acid methyl ester (3), benzoxazole-2-carboxylic acid hydrazide (4), benzoxazole-2-carboxylic acid N'-acetyl hydrazide (5a-d) and benzoxazole-2-carboxylic acid-ethylidene-hydrazides (6a-d) as reactive intermediates. The chemical structures of all the synthesized compounds were elucidated by their IR, H-1 NMR and C-13 NMR and mass spectral data. Further, the target compounds were screened for their antimicrobial activity against various Gram-positive and Gram-negative bacteria. (C) 2013 Raghu Vardhan Reddy Mekala. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.04.005
• 作为产物：
  描述：

  苯并恶唑-2-甲酸 在 氯化亚砜 、 一水合肼 、 三乙胺 作用下， 以 乙醇 为溶剂， 反应 27.0h， 生成 benzoxazole-2-carboxylic acid (ethoxyphenylmethylene) hydrazide
  参考文献：
  名称：

  Design, synthesis and screening of some novel benzoxazole based 1,3,4-oxadiazoles as potential antimicrobial agents

  摘要：

  A series of novel 2-(5-substituted-[1,3,4]oxadiazol-2-yl)-benzoxazoles (7a-h) were synthesized in good yields in two different directions by involving benzoxazole-2-carboxylic acid (1) as raw material and benzoxazole-2-carbonyl chloride (2), benzoxazole-2-carboxylic acid methyl ester (3), benzoxazole-2-carboxylic acid hydrazide (4), benzoxazole-2-carboxylic acid N'-acetyl hydrazide (5a-d) and benzoxazole-2-carboxylic acid-ethylidene-hydrazides (6a-d) as reactive intermediates. The chemical structures of all the synthesized compounds were elucidated by their IR, H-1 NMR and C-13 NMR and mass spectral data. Further, the target compounds were screened for their antimicrobial activity against various Gram-positive and Gram-negative bacteria. (C) 2013 Raghu Vardhan Reddy Mekala. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.04.005