4-(2-aminoethyl)aniline dihydrochloride | 13078-82-5

• 物质功能分类: 化学试剂 - 有机试剂 - 酰亚胺
• 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: 4-(2-aminoethyl)aniline dihydrochloride
• 英文别名: 4-aminophenethylamine dihydrochloride；4-amino-phenethylamine; dihydrochloride；4-Amino-phenaethylamin; Dihydrochlorid；4-(2-aminoethyl)benzenamine dihydrochloride；4-aminoethyl aniline dihydrochloride；4-(2-Aminoethyl)aniline hydrochloride；4-(2-aminoethyl)aniline;hydrochloride
• CAS: 13078-82-5
• 化学式: C₈H₁₂N₂*2ClH
• 分子量: 209.119
• InChiKey: RAXKOWMRVNCBDO-UHFFFAOYSA-N

物化性质

• 熔点：
  296 °C (decomp)

计算性质

• 辛醇/水分配系数(LogP)：
  1.19
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  52
• 氢给体数：
  3
• 氢受体数：
  2

安全信息

• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R34
• 海关编码：
  2921590090

反应信息

• 作为反应物：
  描述：

  4-(2-aminoethyl)aniline dihydrochloride 在 sodium hydroxide 作用下， 以 水 为溶剂， 以0.51 g的产率得到2-(4-氨基苯)乙胺
  参考文献：
  名称：

  新型阳离子七甲基花青-石墨烯杂化材料

  摘要：

  DOI：

  10.1016/j.dyepig.2019.108047
• 作为产物：
  描述：

  4-氨基-L-苯丙氨酸 在 (R)-Carvone 、 盐酸 作用下， 以 丙醇 、 水 为溶剂， 反应 0.13h， 以99%的产率得到4-(2-aminoethyl)aniline dihydrochloride
  参考文献：
  名称：

  Rapid Conventional and Microwave-Assisted Decarboxylation of L-Histidine and Other Amino Acids via Organocatalysis with R-Carvone Under Superheated Conditions

  摘要：

  This article reports a new methodology taking advantage of superheated chemistry via either microwave or conventional heating for the facile decarboxylation of alpha amino acids using the recoverable organocatalyst, R-carvone. The decarboxylation of amino acids is an important synthetic route to biologically active amines, and traditional methods of amino acid decarboxylation are time consuming (taking up to several days in the case of L-histidine), are narrow in scope, and make use of toxic catalysts. Decarboxylations of amino acids including L-histidine occur in just minutes while replacing toxic catalysts with green catalyst, spearmint oil. Yields are comparable to or exceed previous methods and purification of product ammonium chloride salts is aided by an isomerization reaction of residual catalyst to phenolic carvacrol. The method has been shown to be effective for the decarboxylations of a range of natural, synthetic, and protected amino acids.

  DOI：

  10.1080/00397911.2015.1100745

文献信息

• 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。
• FRICTIONLESS MOLECULAR ROTARY MOTORS
  申请人：Keinan Ehud

  公开号：US20100016610A1

  公开（公告）日：2010-01-21

  A rotaxane consisting of a cucurbituril and an uncharged guest molecule, having low or null affinity therebetween is provided as well as processes for providing the same. Various uses as energy converters (“frictionless” molecular motors), biochips and biosensors using the same are also provided.

  提供了由葫芦醚和一个不带电的客体分子组成的轮烷，并提供了它们之间具有低或无亲和力的过程。还提供了使用这种轮烷作为能量转换器（“无摩擦”分子马达）、生物芯片和生物传感器的各种用途。
• Selective &bgr;3 adrenergic agonists
  申请人：Eli Lilly and Company

  公开号：US06232337B1

  公开（公告）日：2001-05-15

  The present invention is in the field of medicine, particularly in the treatment of Type II diabetes and obesity. More specifically, the present invention relates to selective &bgr;3 receptor agonists useful in the treatment of Type II diabetes and obesity. The invention provides compounds and methods of treating Type II diabetes and obesity, comprising administering to a mammal in need thereof compounds of formula (I) or a pharmaceutically acceptable salt thereof. The variables of formula (I) have the meanings defined herein.

  本发明涉及医学领域，特别是治疗II型糖尿病和肥胖的领域。更具体地说，本发明涉及用于治疗II型糖尿病和肥胖的选择性β3受体激动剂。该发明提供了化合物和治疗II型糖尿病和肥胖的方法，包括向需要的哺乳动物给予式(I)的化合物或其药用盐。式(I)的变量在此定义。
• An Efficient Kilogram-Scale Synthesis of <i>N</i>,<i>N</i>′-Bis(4,6-disubstituted 1,3,5-triazin-2-yl)-4-aminophenetylamine
  作者：Jean-Simon Duceppe、Valérie Perron、Josée Cloutier、Christopher Penney、Boulos Zacharie

  DOI：10.1021/op900202b

  日期：2009.11.20

  A practical large-scale synthesis was developed for the preparation of N,N′-bis(4,6-disubstituted 1,3,5-triazin-2-yl)-4-aminophenethylamine derivatives exemplified by compound 2. This route is a six-step procedure starting from commercially available cyanuric chloride and 3-(tert-butoxycarbonylamino) aniline based on the reactivity differences of the three chlorine atoms on the triazine ring. The optimized

  开发了一种实用的大规模合成方法，用于制备以化合物2为例的N，N′-双（4,6-二取代的1,3,5-三嗪-2-基）-4-氨基苯乙胺衍生物。基于三嗪环上三个氯原子的反应性差异，该途径是六步过程，从市售的氰尿酰氯和3-（叔丁氧基羰基氨基）苯胺开始。按比例扩大优化程序，以最终产品2的总收率达到61％和99.9％的纯度。这些低分子量化合物模拟蛋白质A与IgG抗体结合的能力。
• Frictionless molecular rotary motors
  申请人：Keinan Ehud

  公开号：US08715635B2

  公开（公告）日：2014-05-06

  A rotaxane consisting of a cucurbituril and an uncharged guest molecule, having low or null affinity therebetween is provided as well as processes for providing the same. Various uses as energy converters (“frictionless” molecular motors), biochips and biosensors using the same are also provided.

  本发明提供了一种由葫芦巴烷和一个无电荷客体分子组成的轮烷，二者之间具有低或无亲和力，同时还提供了制备该轮烷的过程。本发明还提供了使用该轮烷作为能量转换器（“无摩擦”分子马达）、生物芯片和生物传感器的各种用途。