1-methoxy-2-(1-phenoxy-1-phenylmethylene)-3-exo-carbomethoxybicyclo<2.2.2>octan-5-one | 126435-61-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-methoxy-2-(1-phenoxy-1-phenylmethylene)-3-exo-carbomethoxybicyclo<2.2.2>octan-5-one
• 英文别名: 4-methoxy-6-exo-methoxycarbonyl-5-(1-phenoxy-1-phenylmethylene)bicyclo<2.2.2>octan-2-one；4-methoxy-5-(phenoxyphenylmethylene)-6-exo-carbomethoxybicyclo<2.2.2>octan-2-one；methyl (1R,2R,3E,4S)-4-methoxy-6-oxo-3-[phenoxy(phenyl)methylidene]bicyclo[2.2.2]octane-2-carboxylate
• CAS: 126435-61-8
• 化学式: C₂₄H₂₄O₅
• 分子量: 392.452
• InChiKey: KXCPKNORRXCIFG-BCTKVVRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  甲醇 、 1-methoxy-2,3-dibenzoylbicyclo<2.2.2>oct-2-en-5-one 反应 5.0h， 以41%的产率得到1-methoxy-2-(1-phenoxy-1-phenylmethylene)-3-exo-carbomethoxybicyclo<2.2.2>octan-5-one
  参考文献：
  名称：

  Lahiri, S.; Singh, R., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1989, vol. 28, # 1-11, p. 860 - 862

  摘要：

  DOI：

文献信息

• A Multichromophoric Bicyclo[2.2.2]octenone and a Photorearranged Ester Derivative
  作者：G. Mostafa、S. Ray、R. Singh、S. Lahiri

  DOI：10.1107/s0108270195016696

  日期：1996.7.15

  Both the title compound, 5,6-dibenzoyl-4-methoxybicyclo[2.2.2]oct-5-en-2-one, C23H20O4, and its photolysis product obtained in the solution phase, 4-methoxy-6-exo-methoxycarbonyl-5-(1-phenoxy-1-phenylmethylene)bicyclo[2.2.2]octan-2-one dagger, C24H24O5, both crystallize in the monoclinic space group P2(1)/c. The structures were solved by direct methods. The conformations established for the two compounds facilitate understanding of the mechanism of the photoreaction in solution.
• Topochemical Selectivity in Solid-State Photorearrangement:  Conformational Control in Photorearrangements of <i>cis</i>-1,2-Dibenzoylalkenes
  作者：Dwijendralal Maji、Raghunath Singh、Golam Mostafa、Siddhartha Ray、Saswati Lahiri

  DOI：10.1021/jo951038a

  日期：1996.1.1