4-[di(pentan-3-yloxy)methyl]-4-methylcyclohex-2-en-1-one | 126395-39-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-[di(pentan-3-yloxy)methyl]-4-methylcyclohex-2-en-1-one
• CAS: 126395-39-9
• 化学式: C₁₈H₃₂O₃
• 分子量: 296.45
• InChiKey: DIQNZZNJOAPWMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.65
• 重原子数：
  21.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-[di(pentan-3-yloxy)methyl]-4-methylcyclohex-2-en-1-one 在 盐酸 作用下， 生成
  参考文献：
  名称：

  Aldol Condensation: A Stereoselective Approach to Tetrahydrophenanthrene Derivatives and 3-Oxa-bicyclo[3.3.1]nonan-6-ones

  摘要：

  Aldol condensation of the lithium enolate of 2 with m-methoxyphenylacetaldehyde afforded 3a and 3b with good erythro steroselectivity (5:95). Acid catalyzed cyclization of 3a gave the tetrahydrophenanthrene 5 while 3b yielded the 3-oxobicyclononanones 6. A mechanism is discussed to account for the derived products and a detailed H-1 NMR structural analysis of the [3.3.1] bicyclic systems is utilized to indirectly characterize the threo and erythro alcohols 3a and 3b.

  DOI：

  10.1080/00397919108020787

文献信息

• Zoretic, P. A.; Yu, B. C.; Caspar, M. L., Synthetic Communications, 1989, vol. 19, # 11-12, p. 1859 - 1864
  作者：Zoretic, P. A.、Yu, B. C.、Caspar, M. L.

  DOI：——

  日期：——
• A stereoselective synthesis of d,l-16-oxa-15.alpha.-methyl-19-nortestosterone
  作者：Phillip A. Zoretic、Byung Chan Yu、Michael S. Biggers、Myron L. Caspar

  DOI：10.1021/jo00299a048

  日期：1990.6
• Zoretic, Phillip A.; Dickerson, Scott H.; Yu, Byung-Chan, Synthetic Communications, 1989, vol. 19, # 16, p. 2869 - 2876
  作者：Zoretic, Phillip A.、Dickerson, Scott H.、Yu, Byung-Chan、Biggers, Michael S.、Chambers, Robert J.、et al.

  DOI：——

  日期：——
• ZORETIC, PHILLIP A.;YU, BYUNG-CHAN;BIGGERS, MICHAEL S.;CASPAR, MYRON L., J. ORG. CHEM., 55,(1990) N2, C. 3954-3957
  作者：ZORETIC, PHILLIP A.、YU, BYUNG-CHAN、BIGGERS, MICHAEL S.、CASPAR, MYRON L.

  DOI：——

  日期：——
• ZORETIC, PHILLIP A.;BIGGERS, MICHAEL S.;BIGGERS, CHRISTOPHER K.;CASPAR, M+, SYNTH. COMMUN., 21,(1991) N, C. 31-42
  作者：ZORETIC, PHILLIP A.、BIGGERS, MICHAEL S.、BIGGERS, CHRISTOPHER K.、CASPAR, M+

  DOI：——

  日期：——