N,N-diethyl(3-fluorobenzyl)amine | 140401-60-1

• 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,N-diethyl(3-fluorobenzyl)amine
• 英文别名: N-ethyl-N-[(3-fluorophenyl)methyl]ethanamine
• CAS: 140401-60-1
• 化学式: C₁₁H₁₆FN
• 分子量: 181.253
• InChiKey: WAZPDMSGKRPWLE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  二乙胺 、 间氟氯苄 以 甲苯 为溶剂， 生成 N,N-diethyl(3-fluorobenzyl)amine
  参考文献：
  名称：

  替代作用。14.水-有机溶剂混合物中的离解常数异常：苄基铵离子和相关系统

  摘要：

  给出了对于苄基铵，苄基二烷基铵和（2-苯乙基）铵离子的各种水-有机溶剂混合物中的热力学解离常数。与Hammett方程（方程式1）的偏差与对羧酸观察到的偏差相似，但符号相反。包含疏水常数π的扩展Hammett方程（等式3）产生了良好的相关性。举例说明了派生的次级正常sigma值。

  DOI：

  10.1002/recl.19921110103

文献信息

• Simple Metal-Free Direct Reductive Amination Using Hydrosilatrane to Form Secondary and Tertiary Amines
  作者：Sami E. Varjosaari、Vladislav Skrypai、Paolo Suating、Joseph J. M. Hurley、Ashley M. De Lio、Thomas M. Gilbert、Marc J. Adler

  DOI：10.1002/adsc.201700079

  日期：2017.6.6

  This work describes the use of cheap, safe, and easy-to-handle hydrosilatrane as the reductant in direct reductive amination reactions. This efficient method enables a facile, metal-free access to secondary and tertiary amines from a wide range of aldehydes and ketones, with the synthesis of tertiary amines requiring no additives at all. This reaction demonstrates excellent functional group tolerance

  这项工作描述了在直接还原胺化反应中使用便宜，安全且易于操作的氢化硅环烷作为还原剂。这种高效的方法可以轻松，无金属地从各种醛和酮中获得仲胺和叔胺，而叔胺的合成则完全不需要添加剂。该反应显示出优异的官能团耐受性，化学选择性和可扩展性。
• Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex
  申请人：Otomaru Yuka

  公开号：US20070135600A1

  公开（公告）日：2007-06-14

  The invention provides a transition metal complex of formula (3) below: wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 and R 8 are the same or different and each independently represents a hydrogen atom, a halogen atom or a substituted or unsubstituted alkyl group having 1 to 10 carbon atom(s); R 5 represents a hydrogen atom, a fluorine atom or a substituted or unsubstituted alkyl group having 1 to 10 carbon atom(s); X 1 represents a hydrogen atom, a halogen atom or a substituted or unsubstituted alkyl group having 1 to 10 carbon atom(s); L represents a balancing counter ion or neutral ligand similar to X 1 that is bonding or coordinating to metal M; and q represents an integer of 0 or 1, and G 20 represents any one of G 21 to G 26 below: where A 1 represents an element of Group 15 of the periodic table, wherein A 1 in G 23 represents an anion of an element of Group 15 of the periodic table, and A 1 in G 21 represents a nitrogen atom; R 9 , R 14 , R 12 , R 13 , R 19 , R 20 , R 10 , R 11 , R 15 , R 16 , R 17 , R 18 , R 19 , R 20 , R 21 and R 22 each independently represents, a hydrogen atom; or a substituted or unsubstituted alkyl groups having 1 to 10 carbon atom(s), and the line linking M and R 20 represents that M is coordinated or linked to an element of Group 15 or 16 of the periodic table or to a fluorine atom constituting R 20 .
• US7482414B2
  申请人：——

  公开号：US7482414B2

  公开（公告）日：2009-01-27
• US7915455B2
  申请人：——

  公开号：US7915455B2

  公开（公告）日：2011-03-29
• Substituent effects. 14. Anomalous dissociation constants in water-organic solvent mixtures: Benzylammonium ions and related systems
  作者：A. J. Hoefnagel、R. H. de Vos、B. M. Wepster

  DOI：10.1002/recl.19921110103

  日期：——

  Thermodynamic dissociation constants in various water-organic solvent mixtures are given for benzylammonium, benzyldialkylammonium, and (2-phenylethyl)ammonium ions. Deviations from the Hammett equation (Eqn. 1) are similar to those observed for carboxylic acids, but of opposite sign. The extended Hammett equation (Eqn. 3), containing the hydrophobic constant, π, yields good correlations. Derived secondary

  给出了对于苄基铵，苄基二烷基铵和（2-苯乙基）铵离子的各种水-有机溶剂混合物中的热力学解离常数。与Hammett方程（方程式1）的偏差与对羧酸观察到的偏差相似，但符号相反。包含疏水常数π的扩展Hammett方程（等式3）产生了良好的相关性。举例说明了派生的次级正常sigma值。