3-amino-5,6-dihydro-phenanthrene-2,4-dicarbonitrile | 1233699-40-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 3-amino-5,6-dihydro-phenanthrene-2,4-dicarbonitrile
• 英文别名: 2-Amino-9,10-dihydrophenanthrene-1,3-dicarbonitrile；2-amino-9,10-dihydrophenanthrene-1,3-dicarbonitrile
• CAS: 1233699-40-5
• 化学式: C₁₆H₁₁N₃
• 分子量: 245.283
• InChiKey: WDQRHBXVUFVIDT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  73.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1,2,3,4-tetrahydro-2-(hydroxymethylene)naphthalen-1-one 、 丙二腈 在 aluminum oxide 、 sodium methylate 作用下， 反应 0.15h， 以86%的产率得到3-amino-5,6-dihydro-phenanthrene-2,4-dicarbonitrile
  参考文献：
  名称：

  A convenient strategy for the annulation of aryl scaffold to A/B-ring steroids under microwave irradiation

  摘要：

  A facile strategy for the annulation of 2,6-dicyanoaniline moiety to steroidal A/B-ring is described from base catalyzed and microwave-promoted reaction of steroidal 3-keto-2-hydroxymethylenes with malononitrile in high yields. The generality of the reaction has been extended to non-steroidal cyclic and aliphatic ketohydroxylmethylenes. (C) 2010 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.steroids.2010.02.009

文献信息

• A convenient strategy for the annulation of aryl scaffold to A/B-ring steroids under microwave irradiation
  作者：Madan G. Barthakur、Abdul Hasib、Junali Gogoi、Romesh C. Boruah

  DOI：10.1016/j.steroids.2010.02.009

  日期：2010.6

  A facile strategy for the annulation of 2,6-dicyanoaniline moiety to steroidal A/B-ring is described from base catalyzed and microwave-promoted reaction of steroidal 3-keto-2-hydroxymethylenes with malononitrile in high yields. The generality of the reaction has been extended to non-steroidal cyclic and aliphatic ketohydroxylmethylenes. (C) 2010 Elsevier Inc. All rights reserved.