24-ethyl-4,22-cholestadiene-3-one | 521079-80-1

• 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: 24-ethyl-4,22-cholestadiene-3-one
• 英文别名: 24-ethylcholesta-4,22-dien-3-one；4,22-cholestadien-24-ethyl-3-one；(24I(3/4))-Stigmasta-4,22-dien-3-one；(8S,9S,10R,13R,14S,17R)-17-[(2R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
• CAS: 521079-80-1
• 化学式: C₂₉H₄₆O
• 分子量: 410.684
• InChiKey: MKGZDUKUQPPHFM-DOUXTHCPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  24-ethyl-4,22-cholestadiene-3-one 、 乙二胺 在 aluminum oxide 作用下， 以94%的产率得到4'-dehydro-24-ethyl-cholest-4,22-dieno[3,4-e]piperazin-6-one
  参考文献：
  名称：

  Microwave promoted one-pot synthesis of novel A-ring fused steroidal dehydropiperazines

  摘要：

  The preparation of ring-A fused steroidal dehydropiperazine at the 3,4-position is herein described. The novel steroidal dehydropiperazines were prepared from the annulation reaction of ethylenediamine with 3-keto-4-en steroids in a one-pot reaction under microwave irradiation. The key step involves base catalysed aerial oxidation of the C-6 methylene group followed by cyclocondensation of ethylenediamine via Michael addition reaction. (C) 2008 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.steroids.2008.01.005

文献信息

• Microwave promoted one-pot synthesis of novel A-ring fused steroidal dehydropiperazines
  作者：Moyurima Borthakur、Madan G. Barthakur、Romesh C. Boruah

  DOI：10.1016/j.steroids.2008.01.005

  日期：2008.5

  The preparation of ring-A fused steroidal dehydropiperazine at the 3,4-position is herein described. The novel steroidal dehydropiperazines were prepared from the annulation reaction of ethylenediamine with 3-keto-4-en steroids in a one-pot reaction under microwave irradiation. The key step involves base catalysed aerial oxidation of the C-6 methylene group followed by cyclocondensation of ethylenediamine via Michael addition reaction. (C) 2008 Elsevier Inc. All rights reserved.