(+/-)-2,8-dimethoxy-(4bc,10bc)-4b,5,6,10b,11,12-hexahydro-chrysene | 54173-10-3

• 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: (+/-)-2,8-dimethoxy-(4bc,10bc)-4b,5,6,10b,11,12-hexahydro-chrysene
• 英文别名: (+/-)-2,8-Dimethoxy-(4bc,10bc)-4b,5,6,10b,11,12-hexahydro-chrysen；(+/-)-2.8-Dimethoxy-(4brH.10bcH)-4b.5.6.10b.11.12-hexahydro-chrysen；(4bS,10bS)-2,8-dimethoxy-4b,5,6,10b,11,12-hexahydrochrysene
• CAS: 54173-10-3
• 化学式: C₂₀H₂₂O₂
• 分子量: 294.393
• InChiKey: SKRSOKWQYMAAFM-WOJBJXKFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (+/-)-2,8-dimethoxy-(4bc,10bc)-4b,5,6,10b,11,12-hexahydro-chrysene 在 氢溴酸 、 溶剂黄146 作用下， 生成 (+/-)-cis-4b.5.6.10b.11.12-hexahydro-chrysenediol-(2.8)
  参考文献：
  名称：

  Cyclic Analogs of Hexestrol in the Chrysene Series

  摘要：

  DOI：

  10.1021/jo50003a006
• 作为产物：
  描述：

  3-甲氧基苯基乙酰氯 在 sodium tetrahydroborate 、 正丁基锂 、 甲烷磺酸 、 四甲基乙二胺 、 sodium hydride 、 碘甲烷 作用下， 以 二硫化碳 、 二氯甲烷 为溶剂， 生成 (+/-)-2,8-dimethoxy-(4bc,10bc)-4b,5,6,10b,11,12-hexahydro-chrysene
  参考文献：
  名称：

  Synthesis and evaluation of hexahydrochrysene and tetrahydrobenzofluorene ligands for the estrogen receptor

  摘要：

  To prepare novel estrogen receptor (ER) ligands, we have developed a facile approach to substituted hexahydrochrysene and tetrahydrobenzo[a]fluorene systems. Substituents, including basic side chains, were added to these systems, and their binding affinity to ER alpha and ER beta, and in some cases their transcriptional activity were evaluated. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00189-5

文献信息

• Configuration of the Estrones. Total Synthesis of the Remaining Stereoisomers
  作者：William S. Johnson、Israel A. David、Henry C. Dehm、Robert J. Highet、E. W. Warnhoff、W. David Wood、E. T. Jones

  DOI：10.1021/ja01536a040

  日期：1958.2
• 340. Experiments on the synthesis of substances related to the sterols. Part IV. Some derivatives of chrysene (contd.)
  作者：H. J. Lewis、G. R. Ramage、Robert Robinson

  DOI：10.1039/jr9350001412

  日期：——
• Cyclic Analogs of Hexestrol in the Chrysene Series
  作者：A. L. Wilds、Reid E. Sutton

  DOI：10.1021/jo50003a006

  日期：1951.9
• 415. Hydroaromatic steroid hormones. Part II. Some hydrochrysene derivatives
  作者：Arthur J. Birch、Herchel Smith

  DOI：10.1039/jr9510001882

  日期：——
• Synthesis and evaluation of hexahydrochrysene and tetrahydrobenzofluorene ligands for the estrogen receptor
  作者：Rosanna Tedesco、Michael K Youngman、Scott R Wilson、John A Katzenellenbogen

  DOI：10.1016/s0960-894x(01)00189-5

  日期：2001.5

  To prepare novel estrogen receptor (ER) ligands, we have developed a facile approach to substituted hexahydrochrysene and tetrahydrobenzo[a]fluorene systems. Substituents, including basic side chains, were added to these systems, and their binding affinity to ER alpha and ER beta, and in some cases their transcriptional activity were evaluated. (C) 2001 Elsevier Science Ltd. All rights reserved.