3-Methoxy-17α-(3-hydroxy-propin-(1)-yl)-oestratrien-(1,3,5)-ol-(17β) | 2848-92-2

• 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: 3-Methoxy-17α-(3-hydroxy-propin-(1)-yl)-oestratrien-(1,3,5)-ol-(17β)
• 英文别名: 17α-(3-Hydroxy-prop-1-inyl)-3-methoxy-oestra-1,3,5(10)-trien-17β-ol
• CAS: 2848-92-2
• 化学式: C₂₂H₂₈O₃
• 分子量: 340.463
• InChiKey: RRJNEONIRLERDA-AANPDWTMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.28
• 重原子数：
  25.0
• 可旋转键数：
  1.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  49.69
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  3-Methoxy-17α-(3-hydroxy-propin-(1)-yl)-oestratrien-(1,3,5)-ol-(17β) 在 palladium on activated charcoal 氢气 作用下， 生成 3-methoxy-19,21,24-trinor-17βH-chola-1,3,5(10)-triene-17,23-diol
  参考文献：
  名称：

  醛固酮拮抗剂。2'3'-α-四氢呋喃2'spiro-17-（4-androsten-3-one）和相关化合物。

  摘要：

  DOI：

  10.1021/jm00341a042
• 作为产物：
  描述：

  magnesium,2-prop-2-ynoxyoxane,bromide 、 3-甲氧基雌酮 生成 3-Methoxy-17α-(3-hydroxy-propin-(1)-yl)-oestratrien-(1,3,5)-ol-(17β)
  参考文献：
  名称：

  醛固酮拮抗剂。2'3'-α-四氢呋喃2'spiro-17-（4-androsten-3-one）和相关化合物。

  摘要：

  DOI：

  10.1021/jm00341a042

文献信息

• A Novel Methodology for the Synthesis of Cyclic Carbonates Based on the Palladium-Catalyzed Cascade Reaction of 4-Methoxycarbonyloxy-2-butyn-1-ols with Phenols, Involving a Novel Carbon Dioxide Elimination-Fixation Process
  作者：Masahiro Yoshida、Mika Fujita、Tooru Ishii、Masataka Ihara

  DOI：10.1021/ja0340681

  日期：2003.4.1

  A palladium-catalyzed CO2-recycling reaction has been developed. Reaction of 4-methoxycarbonyloxy-2-butyn-1-ols with phenols, carried out in the presence of a palladium catalyst, produces phenoxy-substituted cyclic carbonates by way of a pathway involving a CO2 elimination-fixation. A variety of propargylic alcohols and phenols participate in these reactions which yield cyclic carbonates with high efficiencies. Stereoselective construction of trans-cyclic carbonates is achieved by using nonsymmetric substrates. Highly enantioselective reactions occur when (S)-BINAP is used as a ligand. Reaction of 4-phenoxycarbonyloxy2-butyn-1-ol in the presence of the palladium catalyst yields the corresponding cyclic carbonates via a three-component decomposition-reconstruction process.
• Dependence of the rate, reversibility, and stereoselectivity of 17-oxosteroid alkynylation on the alkyne and on the alkali metal
  作者：Theodore C. Miller、Robert G. Christiansen

  DOI：10.1021/jo01284a031

  日期：1967.9