4-bromo benzoic acid N'-(benzoxazole-2-carbonyl)hydrazide | 1445596-38-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-bromo benzoic acid N'-(benzoxazole-2-carbonyl)hydrazide
• CAS: 1445596-38-2
• 化学式: C₁₅H₁₀BrN₃O₃
• 分子量: 360.167
• InChiKey: YJQMVTRVGLGCDO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.67
• 重原子数：
  22.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  84.23
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-bromo benzoic acid N'-(benzoxazole-2-carbonyl)hydrazide 在 三氯氧磷 作用下， 以 neat (no solvent) 为溶剂， 反应 5.0h， 以71%的产率得到2-(5-(4-bromo 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 1,4-二氧六环 、 乙醇 为溶剂， 反应 20.0h， 生成 4-bromo benzoic acid N'-(benzoxazole-2-carbonyl)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