2,4-Dimethyl-2,4-bis-(4-trifluoromethyl-phenyl)-pentan-3-one | 824984-66-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 2,4-Dimethyl-2,4-bis-(4-trifluoromethyl-phenyl)-pentan-3-one
• 英文别名: 3-Pentanone, 2,4-dimethyl-2,4-bis[4-(trifluoromethyl)phenyl]-；2,4-dimethyl-2,4-bis[4-(trifluoromethyl)phenyl]pentan-3-one
• CAS: 824984-66-9
• 化学式: C₂₁H₂₀F₆O
• 分子量: 402.38
• InChiKey: VAYYHZHQXZJPSN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2,4-Dimethyl-2,4-bis-(4-trifluoromethyl-phenyl)-pentan-3-one 生成 2,3-dimethyl-2,3-bis(4-(trifluoromethyl)phenyl)butane
  参考文献：
  名称：

  Hammett Analysis of Photodecarbonylation in Crystalline 1,3-Diarylacetones

  摘要：

  The relative quantum yields and chemical efficiencies of crystalline p,p'-disubstituted 1,3-diphenyl-2-propanones with 4-MeO2 4Me(2) 4-F-2 4-CF3, and 3,4-diMeO groups were determined by parallel irradiation of polycrystalline samples. Variations in quantum yields that span a factor of 4 are analyzed in terms of the effects of substituents on the stability of the benzylic radical. All solid-state reactions proceeded with 100% chemoselectivity and in >95% chemical yield.

  DOI：

  10.1021/ol0480527
• 作为产物：
  描述：

  1,3-二<4-(三氟甲基)苯基>丙酮 、 碘甲烷 在 potassium hydride 作用下， 以 四氢呋喃 为溶剂， 以50%的产率得到2,4-Dimethyl-2,4-bis-(4-trifluoromethyl-phenyl)-pentan-3-one
  参考文献：
  名称：

  Hammett Analysis of Photodecarbonylation in Crystalline 1,3-Diarylacetones

  摘要：

  The relative quantum yields and chemical efficiencies of crystalline p,p'-disubstituted 1,3-diphenyl-2-propanones with 4-MeO2 4Me(2) 4-F-2 4-CF3, and 3,4-diMeO groups were determined by parallel irradiation of polycrystalline samples. Variations in quantum yields that span a factor of 4 are analyzed in terms of the effects of substituents on the stability of the benzylic radical. All solid-state reactions proceeded with 100% chemoselectivity and in >95% chemical yield.

  DOI：

  10.1021/ol0480527

文献信息

• Hammett Analysis of Photodecarbonylation in Crystalline 1,3-Diarylacetones
  作者：Marino J. E. Resendiz、Miguel A. Garcia-Garibay

  DOI：10.1021/ol0480527

  日期：2005.2.1

  The relative quantum yields and chemical efficiencies of crystalline p,p'-disubstituted 1,3-diphenyl-2-propanones with 4-MeO2 4Me(2) 4-F-2 4-CF3, and 3,4-diMeO groups were determined by parallel irradiation of polycrystalline samples. Variations in quantum yields that span a factor of 4 are analyzed in terms of the effects of substituents on the stability of the benzylic radical. All solid-state reactions proceeded with 100% chemoselectivity and in >95% chemical yield.