2,3-dimethyl-2,3-bis(4-(trifluoromethyl)phenyl)butane | 125847-20-3

• 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: 2,3-dimethyl-2,3-bis(4-(trifluoromethyl)phenyl)butane
• 英文别名: 1-[2,3-dimethyl-3-[4-(trifluoromethyl)phenyl]butan-2-yl]-4-(trifluoromethyl)benzene
• CAS: 125847-20-3
• 化学式: C₂₀H₂₀F₆
• 分子量: 374.369
• InChiKey: URZFYJAAQJSXEX-UHFFFAOYSA-N

物化性质

• 熔点：
  70-73 °C
• 沸点：
  337.7±37.0 °C(Predicted)
• 密度：
  1.178±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.98
• 重原子数：
  26.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  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

文献信息

• Phenylene-bridged bis(benzimidazolium) (BBIm²⁺): a dicationic organic photoredox catalyst
  作者：Takuya Kodama、Maiko Kubo、Wataru Shinji、Kei Ohkubo、Mamoru Tobisu

  DOI：10.1039/d0sc03958f

  日期：——

  demonstrated to promote the photochemical decarboxylative hydroxylation and dimerisation of carboxylic acids. The catalytic activity of BBIm2+ was higher than that for a monocation analogue, suggesting that the dicationic nature of BBIm2+ plays a key role in these decarboxylative reactions. The rate constant for the decay of the triplet–triplet absorption of the excited BBIm2+ increased with increasing

  设计，合成并证明了由亚苯基桥联的双（苯并咪唑鎓）（BBIm 2+）组成的专用光氧化还原催化剂可促进羧酸的光化学脱羧羟基化和二聚。BBIm 2+的催化活性高于单阳离子类似物的催化活性，表明BBIm 2+的去离子性质在这些脱羧反应中起关键作用。被激发的BBIm 2+的三重态-三重态吸收的衰减速率常数随着具有饱和依赖性的羧酸根阴离子浓度的增加而增加，表明光诱导的电子转移发生在由BBIm的三重态激发态组成的离子对复合物中2+ 和羧酸根阴离子。
• Radical ions in photochemistry. Part 24. Carbon-carbon bond cleavage of radical cations in solution: theory and application
  作者：Roman Popielarz、Donald R. Arnold

  DOI：10.1021/ja00164a030

  日期：1990.4

  The cleavage of radical cations of two series of alkanes, 1,1,2-triaryl- and 1,1,2,2-tetraarylalkanes, generated by photoinduced single electron transfer in acetonitrile-methanol, occurs with formation of radical and carbocation fragments. The radical cations of some unsymmetrically substituted alkanes cleave to give all four of the possible products, two hydrocarbons emanating from the radicals and

  乙腈-甲醇中光诱导单电子转移产生的两个系列烷烃 1,1,2-三芳基烷烃和 1,1,2,2-四芳基烷烃的自由基阳离子的裂解伴随着自由基和碳正离子碎片的形成而发生。一些不对称取代的烷烃的自由基阳离子裂解得到所有四种可能的产物，两种来自自由基的烃和两种来自碳阳离子的甲醚，与两种可能的自由基片段的氧化电位成比例。观察到的产物比率的对数与根据报告的电化学确定的氧化电位计算的对数之间存在极好的线性相关性（r = 0.998，5 分）。比例常数 (1。