4-[(4,5-Dihydro-1H-imidazol-2-yl)-(2-hydroxy-ethyl)-hydrazonomethyl]-benzoic acid; hydriodide

• 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-[(4,5-Dihydro-1H-imidazol-2-yl)-(2-hydroxy-ethyl)-hydrazonomethyl]-benzoic acid; hydriodide
• 英文别名: 4-[[4,5-dihydro-1H-imidazol-1-ium-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]benzoic acid;iodide
• 化学式: C₁₃H₁₆N₄O₃*HI
• 分子量: 404.207
• InChiKey: CAJBDIYWNYZYFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.03
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  97.5
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  对醛基苯甲酸 、 在 溶剂黄146 作用下， 反应 2.0h， 以71%的产率得到4-[(4,5-Dihydro-1H-imidazol-2-yl)-(2-hydroxy-ethyl)-hydrazonomethyl]-benzoic acid; hydriodide
  参考文献：
  名称：

  New derivatives of imidazole as potential anticancer agents

  摘要：

  A series of monocyclic amidinohydrazones 2a-h was prepared from the reaction of N-(4,5-dihydro-1H-imidazol-2-yl)-N-(2-hydroxy-ethyl) hydrazine hydroiodide 1 with various aromatic aldehydes. Some of them were subjected to an esterification with acetic anhydride to give 2a-d. Compounds 2a,c,d,e,f,h and 3c were tested for their anticancer and anti-HIV activity. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(98)00031-7

文献信息

• New derivatives of imidazole as potential anticancer agents
  作者：Izabella Krȩżel

  DOI：10.1016/s0014-827x(98)00031-7

  日期：1998.5

  A series of monocyclic amidinohydrazones 2a-h was prepared from the reaction of N-(4,5-dihydro-1H-imidazol-2-yl)-N-(2-hydroxy-ethyl) hydrazine hydroiodide 1 with various aromatic aldehydes. Some of them were subjected to an esterification with acetic anhydride to give 2a-d. Compounds 2a,c,d,e,f,h and 3c were tested for their anticancer and anti-HIV activity. (C) 1998 Elsevier Science S.A. All rights reserved.