N-[(3-氯苯基)甲基]戊-1-胺 | 90389-90-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-[(3-氯苯基)甲基]戊-1-胺
• 英文名称: Benzenemethanamine, 3-chloro-N-pentyl-
• 英文别名: N-[(3-chlorophenyl)methyl]pentan-1-amine
• CAS: 90389-90-5
• 化学式: C₁₂H₁₈ClN
• mdl: MFCD07407660
• 分子量: 211.735
• InChiKey: QMXXEPWURVQBKU-UHFFFAOYSA-N

物化性质

• 沸点：
  282.0±15.0 °C(Predicted)
• 密度：
  1.012±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  3-Chlor-benzaldehyd-pentylimin 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 2.0h， 生成 N-[(3-氯苯基)甲基]戊-1-胺
  参考文献：
  名称：

  Benzylamines: synthesis and evaluation of antimycobacterial properties

  摘要：

  The synthesis of benzylamines with various N-alkyl chains and substituents in the aromatic system as well as their evaluation on Mycobacterium tuberculosis H 37 Ra are described. The most active compounds in this test, N-methyl-3-chlorobenzylamine (19, MIC 10.2 micrograms/mL), N-methyl-3,5-dichlorobenzylamine (93, MIC 10.2 micrograms/mL), and N-butyl-3,5-difluorobenzylamine (103, MIC 6.4 micrograms/mL), also exhibited a marked inhibitory effect on Mycobacterium marinum and Mycobacterium lufu used for the determination of antileprotic properties. The combinations of 93 with aminosalicylic acid, streptomycin, or dapsone exert marked supra-additive effects on M. tuberculosis H 37 Ra.

  DOI：

  10.1021/jm00375a005

文献信息

• Benzylamines via Iron-Catalyzed Direct Amination of Benzyl Alcohols
  作者：Tao Yan、Ben L. Feringa、Katalin Barta

  DOI：10.1021/acscatal.5b02160

  日期：2016.1.4

  with simpler amines through the borrowing hydrogen methodology, producing a variety of substituted secondary and tertiary benzylamines in moderate to excellent yields for the first time with an iron catalyst. Notably, we explore the versatility of this methodology in the one-pot synthesis of nonsymmetric tertiary amines, sequential functionalization of diols with distinctly different amines, and the synthesis

  苄胺在许多药物活性化合物中起着重要作用。因此，开发新颖，可持续的催化方法以提供进入这些特权结构基序的途径至关重要。本文中，我们描述了使用定义明确的均相铁络合物构建多种苄胺的系统研究。该方法包括通过借用氢方法将容易获得的苯甲醇与简单胺直接偶联，用铁催化剂首次以中等至极好的收率生产各种取代的仲和叔苄胺。值得注意的是，我们探索了这种方法在非对称叔胺的一锅合成中的多功能性，具有明显不同胺的二醇的顺序官能化，N-苄基哌啶通过各种合成途径。另外，实现了将可再生结构单元2，5-呋喃-二甲醇直接转化为药学上相关的化合物。
• Benzylamines: synthesis and evaluation of antimycobacterial properties
  作者：Wolfgang R. Meindl、Erwin Von Angerer、Helmut Schoenenberger、Gotthard Ruckdeschel

  DOI：10.1021/jm00375a005

  日期：1984.9

  The synthesis of benzylamines with various N-alkyl chains and substituents in the aromatic system as well as their evaluation on Mycobacterium tuberculosis H 37 Ra are described. The most active compounds in this test, N-methyl-3-chlorobenzylamine (19, MIC 10.2 micrograms/mL), N-methyl-3,5-dichlorobenzylamine (93, MIC 10.2 micrograms/mL), and N-butyl-3,5-difluorobenzylamine (103, MIC 6.4 micrograms/mL), also exhibited a marked inhibitory effect on Mycobacterium marinum and Mycobacterium lufu used for the determination of antileprotic properties. The combinations of 93 with aminosalicylic acid, streptomycin, or dapsone exert marked supra-additive effects on M. tuberculosis H 37 Ra.