N'-(4-硝基苯基)己烷-1,6-二胺 | 176325-07-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N'-(4-硝基苯基)己烷-1,6-二胺
• 英文名称: N-(p-nitrophenyl)-1,6-diaminohexane
• 英文别名: N~1~-(4-Nitrophenyl)hexane-1,6-diamine；N'-(4-nitrophenyl)hexane-1,6-diamine
• CAS: 176325-07-8
• 化学式: C₁₂H₁₉N₃O₂
• 分子量: 237.302
• InChiKey: SONIVKUFEOCWRJ-UHFFFAOYSA-N

物化性质

• 熔点：
  89-90 °C
• 沸点：
  415.9±30.0 °C(Predicted)
• 密度：
  1.146±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  83.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,6-己二胺 、 4-硝基碘苯 在 copper(I) oxide 作用下， 以 乙腈 为溶剂， 反应 6.0h， 以16%的产率得到N'-(4-硝基苯基)己烷-1,6-二胺
  参考文献：
  名称：

  Copper-catalyzed C–N cross-coupling reactions for the preparation of aryl diamines applying mild conditions

  摘要：

  In this work, aryl diamines were prepared by C-N cross-coupling reactions between aryl halides and ethylenediamine. These reactions were successfully catalyzed by low quantities of Cu2O or CuO (1 mol %) employing low reflux temperature and low diamine excess. Products were afforded in good yields (up to 95%). (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.02.048

文献信息

• Thermodynamics of binding between α- and β-cyclodextrins and some p-nitro-aniline derivatives: reconsidering the enthalpy–entropy compensation effect
  作者：Paolo Lo Meo、Francesca D'Anna、Michelangelo Gruttadauria、Serena Riela、Renato Noto

  DOI：10.1016/j.tet.2004.07.079

  日期：2004.10

  The thermodynamics of binding between native α- and β-cyclodextrin towards several p-nitro-aniline derivatives was examined, in order to gain further insights about the occurrence of different interaction modes for the two hosts. Valuable information was achieved regarding the ‘expanded hydrophobic sphere’ of α-cyclodextrin. Furthermore, very interesting and unexpected aspects of the behavior of β-cyclodextrin

  研究了天然α-和β-环糊精与几种对硝基苯胺衍生物结合的热力学，以进一步了解两种宿主不同相互作用模式的发生。获得了有关α-环糊精“扩展疏水球”的宝贵信息。此外，β-环糊精的行为非常有趣和出乎意料的方面也得到了启发，例如氢键相互作用所起的关键作用。在“焓-熵补偿效应”的角度检查了实验数据，并讨论了有关该主题的一些想法。
• Copper-catalyzed C–N cross-coupling reactions for the preparation of aryl diamines applying mild conditions
  作者：Márcio V. Costa、Gil M. Viana、Thaís M. de Souza、Luiz Fernando B. Malta、Lúcia C.S. Aguiar

  DOI：10.1016/j.tetlet.2013.02.048

  日期：2013.5

  In this work, aryl diamines were prepared by C-N cross-coupling reactions between aryl halides and ethylenediamine. These reactions were successfully catalyzed by low quantities of Cu2O or CuO (1 mol %) employing low reflux temperature and low diamine excess. Products were afforded in good yields (up to 95%). (C) 2013 Elsevier Ltd. All rights reserved.