5-amino-2-(isopentyloxy)-N-(2-methoxybenzoyl)benzamide | 1318779-93-9

• 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: 5-amino-2-(isopentyloxy)-N-(2-methoxybenzoyl)benzamide
• CAS: 1318779-93-9
• 化学式: C₂₀H₂₄N₂O₄
• 分子量: 356.422
• InChiKey: XEWUTRVYZBSSSR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.27
• 重原子数：
  26.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  90.65
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  5-amino-2-(isopentyloxy)-N-(2-methoxybenzoyl)benzamide 、 3,5-双(三氟甲基)苯基异氰酸酯 以 二氯甲烷 为溶剂， 反应 2.0h， 以202 mg的产率得到
  参考文献：
  名称：

  Self-Complementary Quadruply Hydrogen-Bonded Duplexes Based on Imide and Urea Units

  摘要：

  The quadruply hydrogen-bonded duplexes based on an imide-urea structure preorganized by three-center hydrogen bonds were found to associate via bifurcated hydrogen bonds. (1)H NMR dilution experiments revealed the high stability of the homodimer in apolar solvent (K(dim) > 10(5) M(-1) in CDCl(3)) and enhancement of association ability due to electron-withdrawing substituent effects. The ready synthetic availability and adjustable association affinity via electronic effects may render these association units potentially applicable in constructing supramolecular architectures.

  DOI：

  10.1021/ol2018455
• 作为产物：
  描述：

  2-(3-Methyl-butoxy)-5-nitro-benzoic acid 在 草酰氯 、 12% Pd/C 、 氢气 、 sodium hydride 、 N,N-二甲基甲酰胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 1.5h， 生成 5-amino-2-(isopentyloxy)-N-(2-methoxybenzoyl)benzamide
  参考文献：
  名称：

  Self-Complementary Quadruply Hydrogen-Bonded Duplexes Based on Imide and Urea Units

  摘要：

  The quadruply hydrogen-bonded duplexes based on an imide-urea structure preorganized by three-center hydrogen bonds were found to associate via bifurcated hydrogen bonds. (1)H NMR dilution experiments revealed the high stability of the homodimer in apolar solvent (K(dim) > 10(5) M(-1) in CDCl(3)) and enhancement of association ability due to electron-withdrawing substituent effects. The ready synthetic availability and adjustable association affinity via electronic effects may render these association units potentially applicable in constructing supramolecular architectures.

  DOI：

  10.1021/ol2018455