5-amino-2-((2-ethylhexyl)oxy)-N-(2-methoxybenzoyl)benzamide | 1318779-91-7

• 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-((2-ethylhexyl)oxy)-N-(2-methoxybenzoyl)benzamide
• CAS: 1318779-91-7
• 化学式: C₂₃H₃₀N₂O₄
• 分子量: 398.502
• InChiKey: UJCFXGOZNVMIPR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.44
• 重原子数：
  29.0
• 可旋转键数：
  10.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 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：

  3-硝基苯异氢酸酯 、 5-amino-2-((2-ethylhexyl)oxy)-N-(2-methoxybenzoyl)benzamide 以 二氯甲烷 为溶剂， 反应 2.0h， 以133 mg的产率得到2-(2-ethylhexoxy)-N-(2-methoxybenzoyl)-5-[(3-nitrophenyl)carbamoylamino]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
• 作为产物：
  描述：

  甲氧基苯甲酰氯 在 ammonium hydroxide 、 12% Pd/C 、 氢气 、 sodium hydride 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 5-amino-2-((2-ethylhexyl)oxy)-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

文献信息

• Construction of photoswitchable urea-based multiple H-bonding motifs
  作者：Lan-Yun Chen、Lu Wei、Yu Hai、Li-Juan Liu、Kang-Da Zhang、Tian-Guang Zhan

  DOI：10.1016/j.tet.2023.133343

  日期：2023.2

  photoactive urea-based multiple H-bonding motifs were rationally constructed by tethering the photoisomerizable azobenzene units aside to the urea groups of several typical urea-constituted H-bonding arrays. Taking the integrated azo units as photoswitches, their phototriggered E/Z isomerization can be used to reversibly manipulate the locking (with intramolecular H-bonds) and unlocking (without intramolecular

  在本文中，通过将可光致异构化的偶氮苯单元束缚在几个典型的尿素构成的氢键阵列的尿素基团旁边，合理地构建了一系列基于光活性尿素的多重氢键基序。将集成的偶氮单元作为光开关，它们的光触发E / Z 异构化可用于分别可逆地操纵这些基序的尿素氢键位点的锁定（具有分子内氢键）和解锁（无分子内氢键） . 此功能使E / Z光异构尿素衍生物表现出可切换的分子间氢键亲和力，从而在不同光源照射下实现独特的光控自/异互补多氢键二聚化。受益于尿素基团的广泛应用，开发这种具有光开关二聚亲和力的尿素基多氢键系统有望为构建丰富的尿素基氢键超分子组装系统和材料提供一种普遍适用的方法。光调节特性和功能。