2',6'-dicyano-5α-cholestan[3,2-c]aniline | 1233699-26-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 2',6'-dicyano-5α-cholestan[3,2-c]aniline
• 英文别名: (1S,2S,5R,6R,9S,10R,13S)-17-amino-1,5-dimethyl-6-[(2R)-6-methylheptan-2-yl]pentacyclo[11.8.0.02,10.05,9.015,20]henicosa-15,17,19-triene-16,18-dicarbonitrile
• CAS: 1233699-26-7
• 化学式: C₃₃H₄₇N₃
• 分子量: 485.756
• InChiKey: WKAOMGQLADMKDX-KZWURNFCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.4
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.76
• 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：

  2-hydroxymethylene-5α-cholestan-3-one 、 丙二腈 在 aluminum oxide 、 sodium methylate 作用下， 反应 0.13h， 以90%的产率得到2',6'-dicyano-5α-cholestan[3,2-c]aniline
  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.