N-(4-methoxybenzyl)-4-(4-nitrobenzamido)benzoic acid | 887751-38-4

• 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: N-(4-methoxybenzyl)-4-(4-nitrobenzamido)benzoic acid
• 英文别名: 4-[(4-Methoxyphenyl)methyl-(4-nitrobenzoyl)amino]benzoic acid；4-[(4-methoxyphenyl)methyl-(4-nitrobenzoyl)amino]benzoic acid
• CAS: 887751-38-4
• 化学式: C₂₂H₁₈N₂O₆
• 分子量: 406.395
• InChiKey: RJVMUTXXBAHVCB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  113
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-(4-methoxybenzyl)-4-(4-nitrobenzamido)benzoic acid 在 三氟乙酸 作用下， 反应 24.0h， 生成 4-[(4-硝基苯甲酰基)氨基]苯甲酸
  参考文献：
  名称：

  Solid-Phase Synthesis of Oligo(p-benzamide) Foldamers

  摘要：

  A coupling protocol has been developed which allows the synthesis of oligo(p-benzamide)s on solid support. Aromatic carboxylic acids are activated in situ with thionyl chloride and used to acylate secondary aromatic amines. N-p-Methoxy benzyl (PMB) as well as N-hexyl protected monomers were investigated. Heterosequences of both monomers were synthesized. Such nanoscale objects are important building blocks for supramolecular chemistry.

  DOI：

  10.1021/ol0603357
• 作为产物：
  描述：

  9H-fluoren-9-ylmethyl N-(4-carbonochloridoylphenyl)-N-[(4-methoxyphenyl)methyl]carbamate 在 三乙胺 、 Wang resin 作用下， 以 N-甲基吡咯烷酮 、 二氯甲烷 为溶剂， 反应 2.5h， 生成 N-(4-methoxybenzyl)-4-(4-nitrobenzamido)benzoic acid
  参考文献：
  名称：

  Solid-Phase Synthesis of Oligo(p-benzamide) Foldamers

  摘要：

  A coupling protocol has been developed which allows the synthesis of oligo(p-benzamide)s on solid support. Aromatic carboxylic acids are activated in situ with thionyl chloride and used to acylate secondary aromatic amines. N-p-Methoxy benzyl (PMB) as well as N-hexyl protected monomers were investigated. Heterosequences of both monomers were synthesized. Such nanoscale objects are important building blocks for supramolecular chemistry.

  DOI：

  10.1021/ol0603357

文献信息

• Solid-Phase Synthesis of Oligo(<i>p</i>-benzamide) Foldamers
  作者：Hannah M. König、Robert Abbel、Dieter Schollmeyer、Andreas F. M. Kilbinger

  DOI：10.1021/ol0603357

  日期：2006.4.1

  A coupling protocol has been developed which allows the synthesis of oligo(p-benzamide)s on solid support. Aromatic carboxylic acids are activated in situ with thionyl chloride and used to acylate secondary aromatic amines. N-p-Methoxy benzyl (PMB) as well as N-hexyl protected monomers were investigated. Heterosequences of both monomers were synthesized. Such nanoscale objects are important building blocks for supramolecular chemistry.