3-Oxabicyclo[3.1.0]hexan-2-one, 4,5-diphenyl- | 96847-57-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 3-Oxabicyclo[3.1.0]hexan-2-one, 4,5-diphenyl-
• 英文别名: cis-1,2-diphenyl-3-oxa-4-oxobicyclo<3,1,0>hexane
• CAS: 96847-57-3；139069-08-2；139069-09-3
• 化学式: C₁₇H₁₄O₂
• 分子量: 250.297
• InChiKey: ZHFQYQBVCSJIMQ-ZMSDIMECSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.24
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  3-Oxabicyclo[3.1.0]hexan-2-one, 4,5-diphenyl- 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 以90%的产率得到threo-2-(hydroxybenzyl)-2-phenyl-cyclopropanemethanol
  参考文献：
  名称：

  Regio- et stereo-reactivite d'une lactone dissymetrique. Determination de structure par effets nucleaires overhauser et modelisation moleculaire.

  摘要：

  Lactone I is an important intermediate in the synthesis of compounds with therapeutic properties. In order to prepare new derivatives, reactivity of I has been studied. Cis and trans conformations of both 2,3-diphenyl-1-oxabicyclo [3,1,0] hexanes VIIIa and VIIIb were assigned by H-1 N.M.R spectroscopy using NOE DIFF experiments, and molecular modelling.

  DOI：

  10.1016/s0040-4020(01)91029-4
• 作为产物：
  描述：

  1-苯基-3-氧杂二环[3.1.0]己烷-2,4-二酮 在 三氯化铝 、 钾硼氢 、 potassium carbonate 作用下， 反应 3.0h， 生成 3-Oxabicyclo[3.1.0]hexan-2-one, 4,5-diphenyl-
  参考文献：
  名称：

  Regio- et stereo-reactivite d'une lactone dissymetrique. Determination de structure par effets nucleaires overhauser et modelisation moleculaire.

  摘要：

  Lactone I is an important intermediate in the synthesis of compounds with therapeutic properties. In order to prepare new derivatives, reactivity of I has been studied. Cis and trans conformations of both 2,3-diphenyl-1-oxabicyclo [3,1,0] hexanes VIIIa and VIIIb were assigned by H-1 N.M.R spectroscopy using NOE DIFF experiments, and molecular modelling.

  DOI：

  10.1016/s0040-4020(01)91029-4

文献信息

• Regio- et stereo-reactivite d'une lactone dissymetrique. Determination de structure par effets nucleaires overhauser et modelisation moleculaire.
  作者：C. Berrier、B. Bonnaud、J.F. Patoiseau、D. Bigg

  DOI：10.1016/s0040-4020(01)91029-4

  日期：1991.11

  Lactone I is an important intermediate in the synthesis of compounds with therapeutic properties. In order to prepare new derivatives, reactivity of I has been studied. Cis and trans conformations of both 2,3-diphenyl-1-oxabicyclo [3,1,0] hexanes VIIIa and VIIIb were assigned by H-1 N.M.R spectroscopy using NOE DIFF experiments, and molecular modelling.