1-(4-Amino-2-carboxyphenoxy)-butan | 13737-90-1

• 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: 1-(4-Amino-2-carboxyphenoxy)-butan
• 英文别名: Benzoic acid, 5-amino-2-butoxy-；5-amino-2-butoxybenzoic acid
• CAS: 13737-90-1
• 化学式: C₁₁H₁₅NO₃
• 分子量: 209.245
• InChiKey: FOHJNOOCTRAVRJ-UHFFFAOYSA-N

物化性质

• 熔点：
  105-106 °C
• 沸点：
  392.5±27.0 °C(Predicted)
• 密度：
  1.177±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  72.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(4-Amino-2-carboxyphenoxy)-butan 在 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 20.5h， 生成 2-butoxy-N-[2,4-dibutoxy-5-[(2-butoxy-5-formamidobenzoyl)amino]phenyl]-5-formamidobenzamide
  参考文献：
  名称：

  Hydrogen bonding-mediated self-assembly of anthranilamide-based homodimers through preorganization of the amido and ureido binding sites

  摘要：

  Tbe self-assembly of a novel series of hydrogen bonding-mediated homodimers in chloroform-d has been described. Six anthranilamide-based monomers have been prepared, in which two self-binding formamido, trifluoroacetamido, acetamido, butyl or methyl ureido units are introduced at the two ends of the backbones. Quantitative H-1 NMR investigations in chloroform-d revealed that the formamido and ureido units are more efficient than acetamido to induce the formation of stable homodimers. The association constants of all the new homodimers have been determined by H-1 NMR dilution method. Multiply hydrogen bonding-driven binding patterns have been proposed for the homodimers. It is also found that ureido-derived homodimers do not adopt common linear binding pattern observed for simple urea derivatives. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.09.073
• 作为产物：
  描述：

  2-butanoyloxy-5-nitrobenzoic acid 生成 1-(4-Amino-2-carboxyphenoxy)-butan
  参考文献：
  名称：

  血吸虫病的化学疗法。第八部分 2-羧基和2-氨基甲酰基-4-氨基苯基醚

  摘要：

  通过引入羧基-，氨基甲酰基-，烷基磺酰基-和一些其他核取代基进行结构活性研究，继续进行了一系列血吸虫的对氨基苯醚的合成工作。

  DOI：

  10.1039/j39660002196

文献信息

• Dye composition for keratinous fiber
  申请人：Kao Corporation

  公开号：EP0345728B1

  公开（公告）日：1994-09-14
• Hydrogen bonding-mediated self-assembly of anthranilamide-based homodimers through preorganization of the amido and ureido binding sites
  作者：Jiang Zhu、Jian-Bin Lin、Yun-Xiang Xu、Xi-Kui Jiang、Zhan-Ting Li

  DOI：10.1016/j.tet.2006.09.073

  日期：2006.12

  Tbe self-assembly of a novel series of hydrogen bonding-mediated homodimers in chloroform-d has been described. Six anthranilamide-based monomers have been prepared, in which two self-binding formamido, trifluoroacetamido, acetamido, butyl or methyl ureido units are introduced at the two ends of the backbones. Quantitative H-1 NMR investigations in chloroform-d revealed that the formamido and ureido units are more efficient than acetamido to induce the formation of stable homodimers. The association constants of all the new homodimers have been determined by H-1 NMR dilution method. Multiply hydrogen bonding-driven binding patterns have been proposed for the homodimers. It is also found that ureido-derived homodimers do not adopt common linear binding pattern observed for simple urea derivatives. (c) 2006 Elsevier Ltd. All rights reserved.
• The chemotherapy of schistosomiasis. Part VIII. 2-Carboxy- and 2-carbamoyl-4-aminophenyl ethers
  作者：R. F. Collins、M. Davis

  DOI：10.1039/j39660002196

  日期：——

  Synthetic work in the series of schistosomicidal p-aminophenyl ethers has been continued with the introduction of carboxy-, carbamoyl-, alkylsulphonyl-, and some miscellaneous nuclear substituents for structure–activity studies.

  通过引入羧基-，氨基甲酰基-，烷基磺酰基-和一些其他核取代基进行结构活性研究，继续进行了一系列血吸虫的对氨基苯醚的合成工作。