2-乙基-1-苯基丁烷-1-胺 | 6668-28-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-乙基-1-苯基丁烷-1-胺
• 英文名称: 2-Ethyl-1-phenylbutylamin
• 英文别名: 2-Ethyl-1-phenylbutan-1-amine；(1-Amino-2-ethylbutyl)benzene
• CAS: 6668-28-6
• 化学式: C₁₂H₁₉N
• mdl: MFCD09812825
• 分子量: 177.29
• InChiKey: SVTUEYIAFUBWHQ-UHFFFAOYSA-N

物化性质

• 熔点：
  79 °C
• 沸点：
  256.1±9.0 °C(Predicted)
• 密度：
  0.918±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-乙基-1-苯基丁烷-1-胺 生成 2-乙基苯丁酮
  参考文献：
  名称：

  系统中的立体效果

  摘要：

  基团R的增加导致在Ph·CH（NH 2）·R类型的胺的甲基化中形成较高比例的酮，并在乙氧基的肟的铝氢化物还原中形成较高比例的仲胺。类型Ph·C（：NOH）·R。

  DOI：

  10.1016/s0040-4020(01)96946-7
• 作为产物：
  描述：

  2-乙基苯丁酮 在 lithium aluminium tetrahydride 、 盐酸羟胺 、 sodium acetate 作用下， 以 乙醚 、 乙醇 为溶剂， 生成 2-乙基-1-苯基丁烷-1-胺
  参考文献：
  名称：

  系统中的立体效果

  摘要：

  基团R的增加导致在Ph·CH（NH 2）·R类型的胺的甲基化中形成较高比例的酮，并在乙氧基的肟的铝氢化物还原中形成较高比例的仲胺。类型Ph·C（：NOH）·R。

  DOI：

  10.1016/s0040-4020(01)96946-7

文献信息

• Amine derivatives
  申请人：Bionomics Limited

  公开号：EP2524912A1

  公开（公告）日：2012-11-21

  The present invention relates to Kv1.3 potassium channel blockers of Formula (I) and their use in the treatment of autoimmune and inflammatory diseases.

  本发明涉及公式（I）的Kv1.3钾通道阻滞剂及其在治疗自身免疫和炎症性疾病中的应用。
• Scale-up process of bifunctionalized triblock copolymers with secondary and tertiary amines, with application in dewatering and desalting of heavy crude oils
  申请人：INSTITUTO MEXICANO DEL PETROLEO

  公开号：US10125226B2

  公开（公告）日：2018-11-13

  A chemical synthesis process is provided for the functionalization of monodispersed triblock copolymer (POEw-POPy-POEw) with secondary or tertiary amines at a semi-industrial level in glass reactors having a capacity between 1 L and 100 L. The process includes two stages where the first stage uses an alkylsulfonyl or arylsulfonyl chloride to obtain better leaving groups, and the second stage is the nucleophilic substitution with secondary or tertiary amines, to obtain the bifunctionalized triblock copolymers. The main advantage for this process is to reduce the quantity of unitary process done in each stage, the optimization of reaction times, and the stoichiometric relationships.

  该工艺包括两个阶段，第一阶段使用烷基磺酰氯或芳基磺酰氯获得更好的离去基团，第二阶段使用仲胺或叔胺进行亲核取代，从而获得双官能化的三嵌段共聚物。这种工艺的主要优点是减少了每个阶段的单一过程，优化了反应时间和化学计量关系。
• 2,2,2-Trifluoroethyl Chlorooxoacetate—Universal Reagent for One-Pot Parallel Synthesis of <i>N</i>¹-Aryl-<i>N</i>²-alkyl-Substituted Oxamides
  作者：Andrey V. Bogolubsky、Yurii S. Moroz、Pavel K. Mykhailiuk、Sergey E. Pipko、Anton V. Zhemera、Anzhelika I. Konovets、Olena O. Stepaniuk、Inna S. Myronchuk、Yurii V. Dmytriv、Roman A. Doroschuk、Olga A. Zaporozhets、Andrey Tolmachev

  DOI：10.1021/acscombsci.5b00091

  日期：2015.10.12

  A one-pot parallel synthesis of N-1-aryl-N-2-alkyl-substituted oxamides with 2,2,2-trifluoroethyl chlorooxoacetate was developed. The synthesis of a library of 45 oxamides revealed higher efficiency of this reagent over the known ethyl chlorooxoacetate. The reagent was successfully used to prepare the known oxamide-containing HIV entry inhibitors.
• SCALE-UP PROCESS OF BIFUNCTIONALIZED TRIBLOCK COPOLYMERS WITH SECONDARY AND TERTIARY AMINES, WITH APPLICATION IN DEWATERING AND DESALTING OF HEAVY CRUDE OILS
  申请人：INSTITUTO MEXICANO DEL PETROLEO

  公开号：US20140364566A1

  公开（公告）日：2014-12-11

  A chemical synthesis process is provided for the functionalization of monodispersed triblock copolymer (POE w -POP y -POE w ) with secondary or tertiary amines at a semi-industrial level in glass reactors having a capacity between 1 L and 100 L. The process includes two stages where the first stage uses an alkylsulfonyl or arylsulfonyl chloride to obtain better leaving groups, and the second stage is the nucleophilic substitution with secondary or tertiary amines, to obtain the bifunctionalized triblock copolymers. The main advantage for this process is to reduce the quantity of unitary process done in each stage, the optimization of reaction times, and the stoichiometric relationships.
• Steric effects in the system
  作者：S.H. Graham、A.J.S. Williams

  DOI：10.1016/s0040-4020(01)96946-7

  日期：1965.1

  Increasing size of the group R leads to the formation of a higher proportion of ketone in the methylation of amines of the type, Ph·CH(NH2)·R, and of a higher proportion of secondary amine in the aluminohydride reduction of oximes of the type, Ph·C(:NOH)·R.

  基团R的增加导致在Ph·CH（NH 2）·R类型的胺的甲基化中形成较高比例的酮，并在乙氧基的肟的铝氢化物还原中形成较高比例的仲胺。类型Ph·C（：NOH）·R。