4-(4'-methoxyphenyl)-2-phenylbicyclo[3.3.1]non-2-en-9-one oxime | 1107692-79-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 4-(4'-methoxyphenyl)-2-phenylbicyclo[3.3.1]non-2-en-9-one oxime
• 英文别名: 4-(4'-Methoxyphenyl)-2-phenylbicyclo[3.3.1]-non-2-en-9-one oxime；N-[4-(4-methoxyphenyl)-2-phenyl-9-bicyclo[3.3.1]non-2-enylidene]hydroxylamine
• CAS: 1107692-79-4
• 化学式: C₂₂H₂₃NO₂
• 分子量: 333.43
• InChiKey: QRGYHMBPAIJFMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  41.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-phenyl-4-(4-methoxyphenyl)bicyclo<3.3.1>non-2-en-9-one 在 盐酸羟胺 作用下， 以 乙醇 为溶剂， 反应 3.5h， 以58%的产率得到4-(4'-methoxyphenyl)-2-phenylbicyclo[3.3.1]non-2-en-9-one oxime
  参考文献：
  名称：

  Chemistry of 1,5-diketones: II. Specificity of transformations of polycyclic 1,5-diketones in acid media

  摘要：

  2-(1,3-Diaryl-3-oxopropyl)cyclohexan-1-ones underwent carbo-and heterocyclization in a mixture of acetic acid with acetic anhydride in the presence of perchloric acid. The transformation of 2-(1,3-diaryl-3-oxopropyl)cyclohexan-1-ones into 2,4-diaryl-5,6,7,8-tetrahydrochromenylium salts was shown to involve intermediate 2,4-diarylbicyclo[3.3.1]non-2-en-9-ones. The structure of 2,4-diaryl-substituted bicyclo[3.3.1]non-2-en-9-ones and products of their reactions with halogens and hydroxylamine hydrochloride was confirmed by (1)H and (13)C NMR spectroscopy.

  DOI：

  10.1134/s1070428008090030

文献信息

• Chemistry of 1,5-diketones: II. Specificity of transformations of polycyclic 1,5-diketones in acid media
  作者：N. V. Pchelintseva、Ya. G. Kolevatova、L. I. Markova、O. V. Fedotova、P. V. Reshetov

  DOI：10.1134/s1070428008090030

  日期：2008.9

  2-(1,3-Diaryl-3-oxopropyl)cyclohexan-1-ones underwent carbo-and heterocyclization in a mixture of acetic acid with acetic anhydride in the presence of perchloric acid. The transformation of 2-(1,3-diaryl-3-oxopropyl)cyclohexan-1-ones into 2,4-diaryl-5,6,7,8-tetrahydrochromenylium salts was shown to involve intermediate 2,4-diarylbicyclo[3.3.1]non-2-en-9-ones. The structure of 2,4-diaryl-substituted bicyclo[3.3.1]non-2-en-9-ones and products of their reactions with halogens and hydroxylamine hydrochloride was confirmed by (1)H and (13)C NMR spectroscopy.