3-nitro-N-[1-(phenyl)ethyl]aniline | 135787-34-7

• 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-nitro-N-[1-(phenyl)ethyl]aniline
• 英文别名: 3-nitro-N-(1-phenylethyl)aniline
• CAS: 135787-34-7
• 化学式: C₁₄H₁₄N₂O₂
• mdl: MFCD12636032
• 分子量: 242.277
• InChiKey: QPRNENCXNKIZJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  57.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-氯-1-苯乙烷 、 间硝基苯胺 以 甲醇 为溶剂， 生成 3-nitro-N-[1-(phenyl)ethyl]aniline
  参考文献：
  名称：

  Lee, Ikchoon; Lee, Won Heui; Lee, Hai Whang, Journal of the Chemical Society. Perkin transactions II, 1993, # 2, p. 141 - 146

  摘要：

  DOI：

文献信息

• Kinetic isotope effects involving deuteriated aniline nucleophiles
  作者：Ikchoon Lee、Han Joong Koh、Bon-Su Lee、Hai Whang Lee

  DOI：10.1039/c39900000335

  日期：——

  Primary and secondary α-deuterium kinetic isotope effects are observed with deuteriated aniline nucleophiles in the SN2 reactions of 1-phenylethyl and benzyl benzenesulphonates, providing evidence in support of the four centre transition state mechanism for the former reaction.

  氘代苯胺亲核试剂在1-苯乙基和苄基苯磺酸盐的S N 2反应中观察到了一级和二级α-氘动力学同位素效应，为支持前者反应的四个中心过渡态机理提供了证据。
• Nucleophilic substitution reactions of 1-phenylethyl benzenesulfonates with anilines in methanol-acetonitrile
  作者：Ikchoon Lee、Hyung Yoon Kim、Han Keun Kang、Hai Whang Lee

  DOI：10.1021/jo00247a004

  日期：1988.6
• Intermolecular hydroamination of vinyl arenes using tungstophosphoric acid as a simple and efficient catalyst
  作者：N. Seshu Babu、K. Mohan Reddy、P.S. Sai Prasad、I. Suryanarayana、N. Lingaiah

  DOI：10.1016/j.tetlet.2007.08.120

  日期：2007.10

  The intermolecular hydroamination of vinyl arene derivatives has been efficiently carried out using a tungstophosphoric acid (TPA) catalyst under solvent free and mild reaction conditions. The present protocol provides an environmentally benign, easy to handle and highly active solid acid catalyst for hydroamination of vinyl arenes. The catalyst yields both hydroamination and hydroarylation products and the selectivity mostly depends on the reaction conditions. (C) 2007 Published by Elsevier Ltd.