4-[[(4-羧基苯基)-甲基氨基甲酰基]-甲基氨基]苯甲酸 | 93492-11-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-[[(4-羧基苯基)-甲基氨基甲酰基]-甲基氨基]苯甲酸
• 英文名称: N,N'-dimethyl-N,N'-diphenylureadicarboxylic acid
• 英文别名: 4,4'-[Carbonylbis(methylazanediyl)]dibenzoic acid；4-[[(4-carboxyphenyl)-methylcarbamoyl]-methylamino]benzoic acid
• CAS: 93492-11-6
• 化学式: C₁₇H₁₆N₂O₅
• 分子量: 328.324
• InChiKey: KXTSWXAJBSBLJU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  98.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-[[(4-羧基苯基)-甲基氨基甲酰基]-甲基氨基]苯甲酸 、 1,2-双吡啶基乙烯 以 甲醇 、 水 为溶剂， 生成
  参考文献：
  名称：

  U-Shaped Ureadicarboxylic Acid as a Versatile Folding Unit for Construction of Zigzag-type Architecture

  摘要：

  U-shaped N,N'-dimethyl-N,N'-diphenylureadicarboxylic acid was developed as a folding unit to fabricate an H-bonding aromatic zigzag array. Recrystallization of it with dipyridyl derivatives gave cocrystals. Zigzag-type strands were formed by pinching dipyridyl derivatives via H-bonding with two carboxy moieties. Two types of H-bonding networks, helix and zigzag, were obtained depending on the structure of dipyridyl derivatives to be included. The former afforded a triple helix and the latter gave a twisted zigzag tape with chirality.

  DOI：

  10.1021/cg2002546

文献信息

• US4473681A
  申请人：——

  公开号：US4473681A

  公开（公告）日：1984-09-25
• U-Shaped Ureadicarboxylic Acid as a Versatile Folding Unit for Construction of Zigzag-type Architecture
  作者：Shugo Hisamatsu、Hyuma Masu、Isao Azumaya、Masahiro Takahashi、Keiki Kishikawa、Shigeo Kohmoto

  DOI：10.1021/cg2002546

  日期：2011.5.4

  U-shaped N,N'-dimethyl-N,N'-diphenylureadicarboxylic acid was developed as a folding unit to fabricate an H-bonding aromatic zigzag array. Recrystallization of it with dipyridyl derivatives gave cocrystals. Zigzag-type strands were formed by pinching dipyridyl derivatives via H-bonding with two carboxy moieties. Two types of H-bonding networks, helix and zigzag, were obtained depending on the structure of dipyridyl derivatives to be included. The former afforded a triple helix and the latter gave a twisted zigzag tape with chirality.