3-(3-phenoxybenzylamino)propionitrile | 1038222-56-8

• 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-(3-phenoxybenzylamino)propionitrile
• 英文别名: 3-[(3-phenoxyphenyl)methylamino]propanenitrile
• CAS: 1038222-56-8
• 化学式: C₁₆H₁₆N₂O
• 分子量: 252.316
• InChiKey: LXCNYHJPBALXCB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 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：

  3-(3-phenoxybenzylamino)propionitrile 、 2-氨基苯酚盐酸盐 以80%的产率得到2-[2-(3-phenoxybenzylamino)ethyl]benzoxazole
  参考文献：
  名称：

  Synthesis of 2-(3-phenoxyphenyl)-substituted benzoxazoles, based on nitriles containing the diphenyl oxide fragment

  摘要：

  DOI：

  10.1007/s10593-011-0822-0
• 作为产物：
  描述：

  3-苯氧基苄胺 、 丙烯腈 在 copper(II) acetate monohydrate 作用下， 反应 3.0h， 以40%的产率得到3-(3-phenoxybenzylamino)propionitrile
  参考文献：
  名称：

  Synthesis of nitriles containing 3-phenoxyphenyl fragment

  摘要：

  Reactions of the aldol-crotonic condensation, acylation of acetonitrile, and addition of amine to the activated double bond of acrylonitrile in the series of diphenyl oxide derivatives are studied. Effective procedures for preparing the nitriles containing diphenyl oxide fragment like 3-(3-phenoxyphenyl)-propenonitrile, 3-(3-phenoxyphenyl)-2-butenonitrile, 3-phenoxybenzoylacetonitrile, 3-(3-phenoxyphenyl)-propionitrile, and 3-phenoxybenzylamino)propionitrile are developed.

  DOI：

  10.1134/s107036321004016x

文献信息

• Synthesis of nitriles containing 3-phenoxyphenyl fragment
  作者：Yu. V. Popov、T. G. Korchagina、V. S. Kamaletdinova

  DOI：10.1134/s107036321004016x

  日期：2010.4

  Reactions of the aldol-crotonic condensation, acylation of acetonitrile, and addition of amine to the activated double bond of acrylonitrile in the series of diphenyl oxide derivatives are studied. Effective procedures for preparing the nitriles containing diphenyl oxide fragment like 3-(3-phenoxyphenyl)-propenonitrile, 3-(3-phenoxyphenyl)-2-butenonitrile, 3-phenoxybenzoylacetonitrile, 3-(3-phenoxyphenyl)-propionitrile, and 3-phenoxybenzylamino)propionitrile are developed.
• Synthesis of 2-(3-phenoxyphenyl)-substituted benzoxazoles, based on nitriles containing the diphenyl oxide fragment
  作者：Yu. V. Popov、T. K. Korchagina、V. S. Lobasenko

  DOI：10.1007/s10593-011-0822-0

  日期：2011.9