N-(3-aminobenzyl)benzamide | 180150-44-1

• 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-aminobenzyl)benzamide
• 英文别名: N-[(3-aminophenyl)methyl]benzamide
• CAS: 180150-44-1
• 化学式: C₁₄H₁₄N₂O
• 分子量: 226.278
• InChiKey: FIYJCMRTYLITDU-UHFFFAOYSA-N

物化性质

• 沸点：
  500.8±33.0 °C(Predicted)
• 密度：
  1.173±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-benzoyl-3-nitrobenzylamine 以86%的产率得到N-(3-aminobenzyl)benzamide
  参考文献：
  名称：

  Aniline derivatives possessing an inhibitory effect of nitric oxide synthase

  摘要：

  由一般式（1）表示的化合物：（其中R1为SR6或NR7R8，其中R6通常为具有1-6个碳原子的烷基基团，R7为氢原子、具有1-6个碳原子的烷基基团或硝基基团，R8为氢原子或具有1-6个碳原子的烷基基团；R2和R3通常为氢原子或具有1-6个碳原子的烷基基团；R4为氢原子、具有1-6个碳原子的烷基基团或其胺部分可能被烷基或硝基基团取代的酰胺基团；R5为氢原子或具有1-6个碳原子的烷基基团；Y1、Y2、Y3和Y4可能相同或不同，通常为氢原子、卤素原子或具有1-6个碳原子的烷氧基团；n和m各自为0或1的整数），或这些化合物的可能立体异构体或光学活性形式，或其药学上可接受的盐。这些化合物具有强效的一氧化氮合酶抑制活性，并可用作脑血管疾病的治疗药物。

  公开号：

  US06534546B1

文献信息

• Aniline derivatives possessing an inhibitory effect of nitric oxide synthase
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：US06534546B1

  公开（公告）日：2003-03-18

  Compounds represented by the general formula (1):   (where R1 is SR6 or NR7R8, where R6 is typically an alkyl group having 1-6 carbon atoms, R7 is a hydrogen atom, an alkyl group having 1-6 carbon atoms or a nitro group, and R8 is a hydrogen atom or an alkyl group having 1-6 carbon atoms; R2 and R3 are each typically a hydrogen atom or an alkyl group having 1-6 carbon atoms; R4 is a hydrogen atom, an alkyl group having 1-6 carbon atoms or an amidino group of which the amine portion may be substituted by an alkyl or nitro group; R5 is a hydrogen atom or an alkyl group having 1-6 carbon atoms; Y1, Y2, Y3 and Y4 which may be the same or different are each typically a hydrogen atom, a halogen atom or an alkoxy group having 1-6 carbon atoms; n and m are each an integer of 0 or 1), or possible stereoisomers or optically active forms of the compounds or pharmaceutically acceptable salts thereof. The compounds possess a potent nitric oxide synthase inhibiting activity and are useful as therapeutics of cerebrovascular diseases.

  由一般式（1）表示的化合物：（其中R1为SR6或NR7R8，其中R6通常为具有1-6个碳原子的烷基基团，R7为氢原子、具有1-6个碳原子的烷基基团或硝基基团，R8为氢原子或具有1-6个碳原子的烷基基团；R2和R3通常为氢原子或具有1-6个碳原子的烷基基团；R4为氢原子、具有1-6个碳原子的烷基基团或其胺部分可能被烷基或硝基基团取代的酰胺基团；R5为氢原子或具有1-6个碳原子的烷基基团；Y1、Y2、Y3和Y4可能相同或不同，通常为氢原子、卤素原子或具有1-6个碳原子的烷氧基团；n和m各自为0或1的整数），或这些化合物的可能立体异构体或光学活性形式，或其药学上可接受的盐。这些化合物具有强效的一氧化氮合酶抑制活性，并可用作脑血管疾病的治疗药物。
• tert-Butyl Peroxybenzoate Mediated Selective and Mild N-Benzoylation of Ammonia/Amines under Catalyst- and Solvent-Free Conditions
  作者：Bhalchandra Bhanage、Dilip Yadav

  DOI：10.1055/s-0034-1380811

  日期：——

  A new protocol for the synthesis of amides from tert-butyl peroxybenzoate (TBPB) and ammonia/amines has been developed under catalyst- and solvent-free conditions. The ammonia, primary and secondary amines reacted smoothly with TBPB to furnish the corresponding primary, secondary, and tertiary amides in excellent yields. TBPB proved to be an efficient and highly chemoselective benzoylating reagent

  在无催化剂和无溶剂条件下，开发了一种从过氧苯甲酸叔丁酯 (TBPB) 和氨/胺合成酰胺的新方案。氨、伯胺和仲胺与 TBPB 顺利反应，以优异的产率提供相应的伯、仲和叔酰胺。在芳香胺/羟基存在下，TBPB 被证明是一种有效且高度化学选择性的脂肪胺苯甲酰化试剂。
• RHO KINASE INHIBITORS
  申请人：Dahmann Georg

  公开号：US20100041645A1

  公开（公告）日：2010-02-18

  Substituted amide and urea derivatives useful as inhibitors of Rho kinase are described, which inhibitors can be useful in the treatment of various disorders such as cardiovascular diseases, cancer, neurological diseases, renal diseases, bronchial asthma, erectile dysfunction and glaucoma.

  本文介绍了一种替代酰胺和脲衍生物，这些衍生物可用作Rho激酶的抑制剂，在治疗心血管疾病、癌症、神经系统疾病、肾脏疾病、支气管哮喘、勃起功能障碍和青光眼等各种疾病中有用。
• 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders
  申请人：Wang Shudong

  公开号：US20090137572A1

  公开（公告）日：2009-05-28

  The present invention relates to selected substituted pyrimidines their preparation, pharmaceutical compositions containing them and their use as inhibitors of one or more protein kinases, and hence their use in the treatment of proliferative disorders, viral disorders and/or other disorders.

  本发明涉及选定的取代嘧啶及其制备方法，含有它们的制药组合物以及它们作为一种或多种蛋白激酶抑制剂的用途，因此可用于治疗增殖性疾病、病毒性疾病和/或其他疾病。
• Benzoic Acid-Catalyzed Transamidation Reactions of Carboxamides, Phthalimide, Ureas and Thioamide with Amines
  作者：Ji-Wei Wu、Ya-Dong Wu、Jian-Jun Dai、Hua-Jian Xu

  DOI：10.1002/adsc.201400068

  日期：2014.8.11

  AbstractAn efficient and simple method for the transamidation of carboxamides, phthalimide, ureas and thioamide with amines catalyzed by commercially available benzoic acid under metal‐free conditions is described. Furthermore, to the best of our knowledge, this is the first report about the transamidation of an aromatic thioamide with amines.magnified image