(S)-2-[1-(4-methoxyphenyl)ethylamino]acetonitrile | 1094214-96-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (S)-2-[1-(4-methoxyphenyl)ethylamino]acetonitrile
• 英文别名: 2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]acetonitrile
• CAS: 1094214-96-6
• 化学式: C₁₁H₁₄N₂O
• 分子量: 190.245
• InChiKey: CKRJKHHTPTXGQE-VIFPVBQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  45
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (S)-2-[1-(4-methoxyphenyl)ethylamino]acetonitrile 在 间氯过氧苯甲酸 作用下， 以 乙酸乙酯 为溶剂， 生成 (S,E)-1-cyano-N-(1-(4-methoxyphenyl)ethyl)methanimine oxide
  参考文献：
  名称：

  An Improved Process for the Synthesis and Isolation of (S)-N-(1-Phenylethyl)hydroxylamine

  摘要：

  A three-step, single-solvent telescoped process amenable to the large-scale manufacture of (S)-N-(1-phenylethyl)hydroxylamine p-toluenesulfonic acid salt is reported. This synthetic protocol has been applied to the preparation of other chiral hydroxylamines.

  DOI：

  10.1021/op800230f
• 作为产物：
  描述：

  (S)-(-)-1-(4-甲氧基苯)乙胺 、 溴乙腈 在 N,N-二异丙基乙胺 作用下， 以 乙酸乙酯 为溶剂， 生成 (S)-2-[1-(4-methoxyphenyl)ethylamino]acetonitrile
  参考文献：
  名称：

  An Improved Process for the Synthesis and Isolation of (S)-N-(1-Phenylethyl)hydroxylamine

  摘要：

  A three-step, single-solvent telescoped process amenable to the large-scale manufacture of (S)-N-(1-phenylethyl)hydroxylamine p-toluenesulfonic acid salt is reported. This synthetic protocol has been applied to the preparation of other chiral hydroxylamines.

  DOI：

  10.1021/op800230f

文献信息

• An Improved Process for the Synthesis and Isolation of (<i>S</i>)-<i>N</i>-(1-Phenylethyl)hydroxylamine
  作者：Ian Patel、Neil A. Smith、Simon N. G. Tyler

  DOI：10.1021/op800230f

  日期：2009.1.16

  A three-step, single-solvent telescoped process amenable to the large-scale manufacture of (S)-N-(1-phenylethyl)hydroxylamine p-toluenesulfonic acid salt is reported. This synthetic protocol has been applied to the preparation of other chiral hydroxylamines.