3-[2-cyanoethyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]propanenitrile

• 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: 3-[2-cyanoethyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]propanenitrile
• 化学式: C₁₆H₂₁N₃O₂
• 分子量: 287.362
• InChiKey: ZTQWACZSBPRZSI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.38
• 重原子数：
  21.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  69.28
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  3,4-二甲氧基苯乙胺 、 丙烯腈 以 异丙醇 为溶剂， 反应 2.5h， 生成 3-[2-cyanoethyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]propanenitrile 、 3-[(3,4-二甲氧基苯乙基)氨基]丙腈
  参考文献：
  名称：

  A Versatile and Cost-Effective Approach to Automated Laboratory Organic Synthesis

  摘要：

  The application of a commercial laboratory automated synthesis system, the Anachem SK233 Workstation, is described for use in organic synthesis. A novel reactor design feature has been developed to enable the sampling of reactions under ambient to reflux temperatures while maintaining an effective inert atmosphere. Up to 10 reactions can be run simultaneously on the reactor block supplied. Examples are reported of multiple parallel reactions covering a range of chemistries encountered in synthesis encompassing heterogeneous and homogeneous reactions, air-sensitive and aggressive reagents, ambient to full reflux temperature, and full inert atmospheres with concomitant automated HPLC product analysis. The equipment and modifications described are of moderate cost, are robust in use, are of acceptable size for modern chemistry laboratories, and are readily acceptable to practising chemists.

  DOI：

  10.1021/op990005k

文献信息

• A Versatile and Cost-Effective Approach to Automated Laboratory Organic Synthesis
  作者：Mark A. Armitage、Gillian E. Smith、Kenneth T. Veal

  DOI：10.1021/op990005k

  日期：1999.5.1

  The application of a commercial laboratory automated synthesis system, the Anachem SK233 Workstation, is described for use in organic synthesis. A novel reactor design feature has been developed to enable the sampling of reactions under ambient to reflux temperatures while maintaining an effective inert atmosphere. Up to 10 reactions can be run simultaneously on the reactor block supplied. Examples are reported of multiple parallel reactions covering a range of chemistries encountered in synthesis encompassing heterogeneous and homogeneous reactions, air-sensitive and aggressive reagents, ambient to full reflux temperature, and full inert atmospheres with concomitant automated HPLC product analysis. The equipment and modifications described are of moderate cost, are robust in use, are of acceptable size for modern chemistry laboratories, and are readily acceptable to practising chemists.