3β-hydroxy-17-azaandrost-5-en-16-one | 134952-13-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉类
• 英文名称: 3β-hydroxy-17-azaandrost-5-en-16-one
• 英文别名: (3aS,3bR,7S,9aR,9bS,11aS)-7-hydroxy-9a,11a-dimethyl-1,3,3a,3b,4,6,7,8,9,9b,10,11-dodecahydronaphtho[2,1-e]indol-2-one
• CAS: 134952-13-9
• 化学式: C₁₈H₂₇NO₂
• 分子量: 289.418
• InChiKey: ATJDSCRMVMQUTK-VURCRSAKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3β-hydroxy-17-azaandrost-5-en-16-one 在 N-氯代丁二酰亚胺 、 potassium tert-butylate 作用下， 生成 N-chloro-17-azaandrost-5-en-3β-ol-16-one
  参考文献：
  名称：

  Back, Thomas G.; Lai, Enoch K.Y.; Morzycki, Jacek W., Heterocycles, 1991, vol. 32, # 3, p. 481 - 488

  摘要：

  DOI：
• 作为产物：
  描述：

  3β-acetoxy-17-azaandrost-5-en-16-one 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 12.0h， 以96%的产率得到3β-hydroxy-17-azaandrost-5-en-16-one
  参考文献：
  名称：

  Back, Thomas G.; Lai, Enoch K.Y.; Morzycki, Jacek W., Heterocycles, 1991, vol. 32, # 3, p. 481 - 488

  摘要：

  DOI：

文献信息

• Structure of 3β-hydroxy-16-oxo-24-nor-17-azachol-5-eno-23-nitrile and its 20S epimer
  作者：Jacek W. Morzycki、Zenon Łotowski、Leszek Siergiejczyk、Janusz Lipkowski、Anna Tabaszewska、Jacek Wójcik

  DOI：10.1016/0039-128x(94)00037-d

  日期：1995.2

  The structures of the title compounds have been investigated in solid state by X-ray and in solution by NMR methods. The configurations at C20 and the preferred conformations of both epimers were established. A full assignment of signals in H-1 and C-13 NMR spectra was done.
• N-Alkylation of 17-azasteroids
  作者：J MORZYCKI、Z LOTOWSKI

  DOI：10.1016/0039-128x(94)90042-6

  日期：1994.1

  N-Alkylation of 17-azasteroid lactams (16-oxo-17-azaandrost-5-en-3 beta-ol acetate 3 and its D-homo analog 4) was studied. It has been found that both lactams are readily alkylated with iodomethane or iodoethane. In contrast to this there was no reaction with 2-iodo-6-methylheptane due to the steric hindrance. 1,4-Addition of lactam to the conjugated systems was also studied. The addition to acrylonitrile proved to be easy compared to crotononitrile. However the efficient addition to the latter compound was also attained by using potassium t-butoxide as a base in t-butanol.
• BACK, THOMAS G.;LAI, ENOCH K. Y.;MORZYCKI, JACEK W., HETEROCYCLES, 32,(1991) N, C. 481-488
  作者：BACK, THOMAS G.、LAI, ENOCH K. Y.、MORZYCKI, JACEK W.

  DOI：——

  日期：——