4-(2-hydroxy-1-methyl-propylamino)-benzonitrile | 1220968-70-6

• 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-hydroxy-1-methyl-propylamino)-benzonitrile
• 英文别名: 4-(3-Hydroxybutan-2-ylamino)benzonitrile
• CAS: 1220968-70-6
• 化学式: C₁₁H₁₄N₂O
• 分子量: 190.245
• InChiKey: LLEREAAYGCGUCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  56
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  乙醇 、 对氨基苯腈 在 叔丁基过氧化氢 、 titanium(III) chloride 作用下， 以 水 为溶剂， 以80%的产率得到4-(2-hydroxy-1-methyl-propylamino)-benzonitrile
  参考文献：
  名称：

  Efficient radical domino approach to β-aminoalcohols from arylamines and alcohols triggered by Ti(III)/t-BuOOH

  摘要：

  We report that an aqueous Ti(III)/t-BuOOH system promotes the efficient domino radical reaction of arylamines with alcohol cosolvents leading to beta-aminoalcohols in good yields, in less than ten minutes at room temperature. The free-radical mechanism according to which the amine reacts with two molecules of the alcohol is discussed. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.01.039

文献信息

• Efficient radical domino approach to β-aminoalcohols from arylamines and alcohols triggered by Ti(III)/t-BuOOH
  作者：Raffaele Spaccini、Alessandra Ghilardi、Nadia Pastori、Angelo Clerici、Carlo Punta、Ombretta Porta

  DOI：10.1016/j.tet.2010.01.039

  日期：2010.3

  We report that an aqueous Ti(III)/t-BuOOH system promotes the efficient domino radical reaction of arylamines with alcohol cosolvents leading to beta-aminoalcohols in good yields, in less than ten minutes at room temperature. The free-radical mechanism according to which the amine reacts with two molecules of the alcohol is discussed. (C) 2010 Elsevier Ltd. All rights reserved.