N-[(4-fluorophenyl)methyl]-β-methylbenzeneethanamine | 191084-13-6

• 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-[(4-fluorophenyl)methyl]-β-methylbenzeneethanamine
• 英文别名: N-[(4-fluorophenyl)methyl]-2-phenylpropan-1-amine
• CAS: 191084-13-6
• 化学式: C₁₆H₁₈FN
• mdl: MFCD08756642
• 分子量: 243.324
• InChiKey: ZXZNZMCTSAOYND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  对叔丁基苯基1-(2,3-环氧)丙基醚 、 N-[(4-fluorophenyl)methyl]-β-methylbenzeneethanamine 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Rapid purification of small molecule libraries by ion exchange chromatography

  摘要：

  Amines and acylated amines are synthesized in traditional solution phase reactions, then rapidly purified by ion exchange chromatography to yield pure products. In some instances, impurities devoid of ionizable functionality can be covalently modified prior to purification. The generic purification sequence is applicable to a variety ol. reactions, and is amenable to automation with commercially available equipment. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)00650-3
• 作为产物：
  描述：

  (4-Fluoro-benzyl)-[2-phenyl-prop-(E)-ylidene]-amine 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成 N-[(4-fluorophenyl)methyl]-β-methylbenzeneethanamine
  参考文献：
  名称：

  Rapid purification of small molecule libraries by ion exchange chromatography

  摘要：

  Amines and acylated amines are synthesized in traditional solution phase reactions, then rapidly purified by ion exchange chromatography to yield pure products. In some instances, impurities devoid of ionizable functionality can be covalently modified prior to purification. The generic purification sequence is applicable to a variety ol. reactions, and is amenable to automation with commercially available equipment. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)00650-3

文献信息

• Synthesis of Symmetric and Unsymmetric Secondary Amines from the Ligand-Promoted Ruthenium-Catalyzed Deaminative Coupling Reaction of Primary Amines
  作者：Pandula T. Kirinde Arachchige、Hanbin Lee、Chae S. Yi

  DOI：10.1021/acs.joc.8b00649

  日期：2018.5.4

  found to be effective for the direct deaminative coupling of two primary amines to form secondary amines. The catalyst 1/L1 was highly chemoselective for promoting the coupling of two different primary amines to afford unsymmetric secondary amines. The analogous coupling of aniline with primary amines formed aryl-substituted secondary amines. The treatment of aniline-d7 with 4-methoxybenzylamine led to

  从四核Ru-H与邻苯二酚配体（1 / L1）配合物原位生成的催化体系被发现对于两个伯胺的直接脱氨反应形成仲胺是有效的。催化剂1 / L1具有高度化学选择性，可促进两种不同伯胺的偶联，从而获得不对称仲胺。苯胺与伯胺的类似偶联形成芳基取代的仲胺。用4-甲氧基苄胺处理苯胺-d 7导致偶联产物在CH 2上具有明显的氘掺入（18％D）。在从4-甲氧基苄胺的偶联反应中分离出的产物的α-碳上观察到最明显的碳同位素效应（C（1）= 1.015（2））。通过测量4-甲氧基苯胺与一系列对位取代的苄胺4-XC 6 H 4 CH 2 NH 2（X = OMe，Me，H，F，CF 3）的偶联反应速率来构建Hammett图（ ρ= −0.79±0.1）。基于这些结果，提出了一种可行的偶联反应机理。催化偶联方法提供了操作上简单且化学选择性的仲胺产物合成，而无需使用任何反应性试剂或形成浪费的副产物。
• Rapid purification of small molecule libraries by ion exchange chromatography
  作者：Miles G. Siegel、Patric J. Hahn、Bruce A. Dressman、James E. Fritz、Jocelyn R. Grunwell、Stephen W. Kaldor

  DOI：10.1016/s0040-4039(97)00650-3

  日期：1997.5

  Amines and acylated amines are synthesized in traditional solution phase reactions, then rapidly purified by ion exchange chromatography to yield pure products. In some instances, impurities devoid of ionizable functionality can be covalently modified prior to purification. The generic purification sequence is applicable to a variety ol. reactions, and is amenable to automation with commercially available equipment. (C) 1997 Elsevier Science Ltd.