3-Methyl-2-(m-trifluormethylphenyl)but-2-en | 35925-84-9

• 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: 3-Methyl-2-(m-trifluormethylphenyl)but-2-en
• 英文别名: 1-(3-Methylbut-2-en-2-yl)-3-(trifluoromethyl)benzene；1-(3-methylbut-2-en-2-yl)-3-(trifluoromethyl)benzene
• CAS: 35925-84-9
• 化学式: C₁₂H₁₃F₃
• 分子量: 214.23
• InChiKey: AWVCPXKFDRQEJY-UHFFFAOYSA-N

物化性质

• 沸点：
  212.3±35.0 °C(Predicted)
• 密度：
  1.070±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-Methyl-2-(m-trifluormethylphenyl)but-2-en 在 polymer-bound Rose Bengal 、 溴 、 氧气 作用下， 生成 3,4-Dibromo-2-methyl-3-(3-trifluoromethyl-phenyl)-but-2-yl-hydroperoxide
  参考文献：
  名称：

  Substituent effects upon efficiency of excited-state acetophenones produced on thermolysis of 3,4-diaryl-3,4-dimethyl-1,2-dioxetanes

  摘要：

  DOI：

  10.1021/jo00390a033
• 作为产物：
  描述：

  3,3,4-trimethyl-4-[3-(trifluoromethyl)phenyl]oxetan-2-one 以82%的产率得到3-Methyl-2-(m-trifluormethylphenyl)but-2-en
  参考文献：
  名称：

  Substituent effects upon efficiency of excited-state acetophenones produced on thermolysis of 3,4-diaryl-3,4-dimethyl-1,2-dioxetanes

  摘要：

  DOI：

  10.1021/jo00390a033

文献信息

• Reaktivit�t und Selektivit�t bei der Oxidation von Styrolderivaten. IV. Untersuchungen zur Oxidation von substituierten ?,?-Dimethylstyrolen
  作者：W. Y. Suprun

  DOI：10.1002/prac.19983400308

  日期：——

  The liquid phase oxidation of substituted (p-MeO-, p-Cl-, m-CF3-) 2-aryl-3-methyl-but-2-enes, of 1,1-diphenyl-2-methyl-propene, of 1-ethoxy-2-methyl-1-phenyl-propene and of 9-isopropylidene-fluorene with pure oxygen was investigated in chlorobenzene solution and in presence of cumene and of cumene hydroperoxide in the temperature range 65-125 degrees C. The product yields were determined gaschromatographically. The differences of the activation energies of epoxide formation and the parallel reactions were calculated. They amount to 19-48 kJ/mol. The epoxide selectivity increases with increasing temperature and increasing concentration of olefin. The relative chain propagation constants (k(pC=C)) were determined by competitive oxidation with cumene. The k(pC=C) values of substituted beta,beta-dimethylstyrenes can be correlated by a LFE-relationship with the ionisation energies of the olefins.
• Synthese und Reaktivität vontert-Butyl-(2-aryl-3-methyl-but-2-yl)-peroxiden
  作者：W. Ya. Suprun、D. Schulze

  DOI：10.1002/prac.19973390111

  日期：——

  tert-Butyl-(2-aryl-3-methyl-but-2-yl) peroxides (2a-d) were prepared from t-BuOOH and corresponding 2-aryl-methyl-butan-2-ols (1a-d) (Ar:p-MeO-C6H4 (a); Ph (b); p-Cl-C6H4 (C); m-CF3-C6H4 (d)) and characterized by NMR, MS and elemental analysis.Kinetic data for the thermolysis of 2a-d in cumene as the solvent were determined at 110-140 degrees C and the products analyzed. The rate constants satisfy the Hammett equation with sigma giving a rho-value of -0.73. Oxidation of 2a-d at 80 degrees C gives the corresponding acetophenones 4, epoxides 6 and hydroperoxides 8. The products of the oxidation of 2a-2d were analysed after reduction of the reaction mixtures with LiAlH4. Relative reactivities of the tertiary C-H bonds of peroxides 2 were determined by competitive oxidations. They amount to 0.115-0.275 (with respect to the tertiary C-H bond of cumene)
• Substituent effects upon efficiency of excited-state acetophenones produced on thermolysis of 3,4-diaryl-3,4-dimethyl-1,2-dioxetanes
  作者：William H. Richardson、Diana L. Stiggal-Estberg、Zhangping Chen、John C. Baker、David M. Burns、Sherman David G.

  DOI：10.1021/jo00390a033

  日期：1987.7