1-(3'-nitrophenyl)-2-(phenylamino)ethanol | 107620-36-0

• 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: 1-(3'-nitrophenyl)-2-(phenylamino)ethanol
• 英文别名: 2-Anilino-1-(3-nitrophenyl)ethanol
• CAS: 107620-36-0
• 化学式: C₁₄H₁₄N₂O₃
• 分子量: 258.277
• InChiKey: DNDDLYQYLBSQJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  78.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-(3-硝基苯基)环氧乙烷 、 苯胺 在 1,3-双[3,5-双(三氟甲基)苯基]硫脲 作用下， 反应 6.5h， 生成 2-Anilino-2-(3-nitrophenyl)ethanol 、 1-(3'-nitrophenyl)-2-(phenylamino)ethanol
  参考文献：
  名称：

  Thiourea catalyzed aminolysis of epoxides under solvent free conditions. Electronic control of regioselective ring opening

  摘要：

  A reactant economizing process for the regioselective aminolysis of epoxides using equimolar quantities of reactants catalyzed by the double hydrogen bond donor N,N'-bis[3,5-bis(trifluoromethyl)phenyl]thiourea is reported. Regioselectivity of the reaction is controlled by the electronic nature of the substituent on the styrene oxide, which has been substantiated on the basis of C-13 NMR data and DFT calculations. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.02.053

文献信息

• Thiourea catalyzed aminolysis of epoxides under solvent free conditions. Electronic control of regioselective ring opening
  作者：Swapandeep Singh Chimni、Neeraj Bala、Vaibhav A. Dixit、Prasad V. Bharatam

  DOI：10.1016/j.tet.2010.02.053

  日期：2010.4

  A reactant economizing process for the regioselective aminolysis of epoxides using equimolar quantities of reactants catalyzed by the double hydrogen bond donor N,N'-bis[3,5-bis(trifluoromethyl)phenyl]thiourea is reported. Regioselectivity of the reaction is controlled by the electronic nature of the substituent on the styrene oxide, which has been substantiated on the basis of C-13 NMR data and DFT calculations. (C) 2010 Elsevier Ltd. All rights reserved.