2'-phenyl-(24R)-24-ethyl-5α-cholest[3,2-d]pyrimidine | 1196082-28-6

• 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'-phenyl-(24R)-24-ethyl-5α-cholest[3,2-d]pyrimidine
• 英文别名: (1S,2S,5R,6R,9S,10R,13S)-6-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-1,5-dimethyl-17-phenyl-16,18-diazapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-15,17,19-triene
• CAS: 1196082-28-6
• 化学式: C₃₇H₅₄N₂
• 分子量: 526.849
• InChiKey: IQQJYKXCQUIGFA-HWHRWRAWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.9
• 重原子数：
  39
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (2Z,5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2-(hydroxymethylidene)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one 、 苯甲醛 在 ammonium acetate 、 silica gel 作用下， 反应 0.1h， 以81%的产率得到2'-phenyl-(24R)-24-ethyl-5α-cholest[3,2-d]pyrimidine
  参考文献：
  名称：

  A facile three-component solid phase synthesis of steroidal A-ring fused pyrimidines under microwave irradiation

  摘要：

  The preparation of ring-A fused pyrimidines at the steroidal 2,3-position is herein described. The novel steroidal pyrimidines were prepared from the solid phase three-component reaction of 2-hydroxymethylene-3-keto steroids, arylaldehydes and ammonium acetate under microwave irradiation. (C) 2009 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.steroids.2009.03.006

文献信息

• A facile three-component solid phase synthesis of steroidal A-ring fused pyrimidines under microwave irradiation
  作者：Madan G. Barthakur、Shyamalee Gogoi、Mandakini Dutta、Romesh C. Boruah

  DOI：10.1016/j.steroids.2009.03.006

  日期：2009.9

  The preparation of ring-A fused pyrimidines at the steroidal 2,3-position is herein described. The novel steroidal pyrimidines were prepared from the solid phase three-component reaction of 2-hydroxymethylene-3-keto steroids, arylaldehydes and ammonium acetate under microwave irradiation. (C) 2009 Elsevier Inc. All rights reserved.