N-[(3,4-Dimethoxyphenyl)methyl][1,1'-biphenyl]-4-carboxamide | 6570-36-1

• 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: N-[(3,4-Dimethoxyphenyl)methyl][1,1'-biphenyl]-4-carboxamide
• 英文别名: N-[(3,4-dimethoxyphenyl)methyl]-4-phenylbenzamide
• CAS: 6570-36-1
• 化学式: C₂₂H₂₁NO₃
• 分子量: 347.4
• InChiKey: ZJVKYNGLIPEWKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• [EN] FUNCTIONALIZED AZABORINE COMPOUNDS AND AZABORINE-CONTAINING BIARYLCARBOXAMIDES, AND COMPOSITIONS AND METHODS THEREOF<br/>[FR] COMPOSÉS D'AZABORINE FONCTIONNALISÉS ET BIARYLCARBOXAMIDES CONTENANT DE L'AZABORINE, ET LEURS COMPOSITIONS ET PROCÉDÉS
  申请人：TRUSTEES BOSTON COLLEGE

  公开号：WO2015160688A1

  公开（公告）日：2015-10-22

  The invention provides novel azaborine compounds, methods for their syntheses and functionalization, and various applications thereof. For example, novel azaborine-containing biarylcarboxylic acids and biarylcarboxamides are disclosed herein, which provide the opportunity to be used as therapeutic agents in different diseases. The novel azaborine-containing compounds show unique physical and biological properties when compared to their corresponding all-carbon compounds. Also, disclosed herein are substituted 1,2-dihydro- 1,2-azaborine compounds and methods for making the same including methods for the preparation of various substituted azaborines including alkyl, alkenyl, aryl, nitrile, heteroaryl, and fused ring substituents in the presence of B-H, B-Cl, B-O and N-H bonds from Br-substituted azaborines as well as the synthesis of new fused BN- heterocycles.

  本发明提供了新颖的氮硼因化合物、它们的合成及功能化方法，以及它们在各种应用中的用途。例如，本文公开了含有氮硼因的联芳基羧酸和联芳基酰胺，它们提供了作为不同疾病治疗剂使用的机会。与相应的全碳化合物相比，这些新颖的氮硼因化合物显示出独特的物理和生物学特性。此外，本文还公开了取代的1,2-二氢-1,2-氮硼因化合物及其制备方法，包括制备各种取代的氮硼因的方法，这些取代基包括烷基、烯基、芳基、腈、杂芳基和稠合环取代基，在B-H、B-Cl、B-O和N-H键的存在下，从溴取代的氮硼因出发，以及合成新的稠合BN杂环的方法。
• FUNCTIONALIZED AZABORINE COMPOUNDS AND AZABORINE-CONTAINING BIARYLCARBOXAMIDES, AND COMPOSITIONS AND METHODS THEREOF
  申请人：The Trustees of Boston College

  公开号：US20170081347A1

  公开（公告）日：2017-03-23

  The invention provides novel azaborine compounds, methods for their syntheses and functionalization, and various applications thereof. For example, novel azaborine-containing biarylcarboxylic acids and biarylcarboxamides are disclosed herein, which provide the opportunity to be used as therapeutic agents in different diseases. The novel azaborine-containing compounds show unique physical and biological properties when compared to their corresponding all-carbon compounds. Also, disclosed herein are substituted 1,2-dihydro-1,2-azaborine compounds and methods for making the same including methods for the preparation of various substituted azaborines including alkyl, alkenyl, aryl, nitrile, heteroaryl, and fused ring substituents in the presence of B—H, B—Cl, B—O and N—H bonds from Br-substituted azaborines as well as the synthesis of new fused BN-heterocycles.