2-amino-4-(4-methoxy-phenyl)-5,6,7,8-tetrahydro-4H-napathalene-1,3,3-tricarbonitrile | 129339-96-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-amino-4-(4-methoxy-phenyl)-5,6,7,8-tetrahydro-4H-napathalene-1,3,3-tricarbonitrile
• 英文别名: 2-amino-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
• CAS: 129339-96-4
• 化学式: C₂₀H₁₈N₄O
• 分子量: 330.389
• InChiKey: JIRBTXQDMCSPJB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.43
• 重原子数：
  25.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  106.62
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-amino-4-(4-methoxy-phenyl)-5,6,7,8-tetrahydro-4H-napathalene-1,3,3-tricarbonitrile 在 硫化氢 、 三乙胺 作用下， 以 乙醇 为溶剂， 生成 1-(4-methoxyphenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
  参考文献：
  名称：

  Elgemeie, Galal Eldin Hamza; Regaila, Hassan Abdla; Shehata, Nadia, Journal of the Chemical Society. Perkin transactions I, 1990, # 5, p. 1267 - 1270

  摘要：

  DOI：
• 作为产物：
  描述：

  (4-甲氧基苄烯)丙二腈 、 2-cyano-2-cyclohexylidenethioacetamide 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以76%的产率得到2-amino-4-(4-methoxy-phenyl)-5,6,7,8-tetrahydro-4H-napathalene-1,3,3-tricarbonitrile
  参考文献：
  名称：

  Elgemeie, Galal Eldin Hamza; Regaila, Hassan Abdla; Shehata, Nadia, Journal of the Chemical Society. Perkin transactions I, 1990, # 5, p. 1267 - 1270

  摘要：

  DOI：

文献信息

• Zinc titanate nanopowder: an advanced nanotechnology based recyclable heterogeneous catalyst for the one-pot selective synthesis of self-aggregated low-molecular mass acceptor–donor–acceptor–acceptor systems and acceptor–donor–acceptor triads
  作者：Paramita Das、Ray J. Butcher、Chhanda Mukhopadhyay

  DOI：10.1039/c2gc16641k

  日期：——

  Highly stable, environmentally benign ZnTiO3 nanopowder has been prepared via a sustainable sol–gel method. The nanopowder (90 nm) has been thoroughly characterized by SEM, XRD, EDS, Laser Raman, photoluminescence, UV and IR. The activity of the catalyst was probed through one-pot four-component reaction of aldehydes, ketones and two equivalent propanedinitriles in water without requiring any additives or anhydrous conditions. The reaction requires two different catalytic functions, i.e., an acidic one which is given by Ti(IV) ions and a basic one, given by the oxide ion incorporated within the ZnTiO3 metal oxide framework. The advantages of this method lie in its simplicity, cost effectiveness, environmental friendliness, and easier scaling up for large scale synthesis without using high pressure, temperature and toxic chemicals. As water was used as a reaction medium and since we are particularly interested in the isolation of a non-aromatic intermediate, the elimination of poisonous HCN was prevented by the Lewis acid character of Ti4+ up to a sufficiently high temperature. Thus, this process can be considered as a “green” process. Elimination of HCN at higher temperatures still maintains “green” attributes as HCN can be trapped by the basic catalyst under such conditions. Spontaneous generation of low molecular mass self-aggregated organic materials, their one-dimensional packing, and interesting photophysical properties are reported.

  通过可持续的溶胶-凝胶法制备了高度稳定、环境友好的ZnTiO3纳米粉末。通过SEM、XRD、EDS、激光拉曼、光致发光、UV和IR对纳米粉末（90 nm）进行了全面的表征。通过在水中的醛、酮和等量的丙二腈的四组分一步反应探究了催化剂的活性，无需任何添加剂或无水条件。该反应需要两种不同的催化功能，即Ti(IV)离子提供的酸性功能和ZnTiO3金属氧化物框架中包含的氧化离子提供的基本功能。该方法的优势在于其简单性、成本效益、环境友好性，以及无需高压、高温和有毒化学品即可更容易地扩大规模进行大规模合成。由于使用水作为反应介质，并且我们特别关注非芳香性中间体的分离，因此在足够高的温度下，Ti4+的Lewis酸性质防止了有毒HCN的消除。因此，该过程可以被视为一种“绿色”过程。在更高温度下消除HCN仍然保持“绿色”特性，因为在这种条件下HCN可以通过碱性催化剂捕获。报道了低分子量自聚集有机材料的自发生成、它们的一维堆积以及有趣的光物理性质。
• ELGEMEIE, GALAL ELDIN HAMZA;REGAILA, HASSAN ABDLA;SHEHATA, NADIA, J. CHEM. SOC. PERKIN TRANS. PT 1,(1990) N, C. 1267
  作者：ELGEMEIE, GALAL ELDIN HAMZA、REGAILA, HASSAN ABDLA、SHEHATA, NADIA

  DOI：——

  日期：——