2,4,6-trimethylphenyl 2-thiophenecarboxylate | 87511-89-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 2,4,6-trimethylphenyl 2-thiophenecarboxylate
• 英文别名: (2,4,6-Trimethylphenyl) thiophene-2-carboxylate
• CAS: 87511-89-5
• 化学式: C₁₄H₁₄O₂S
• 分子量: 246.33
• InChiKey: DEVSWVHSOXQLKS-UHFFFAOYSA-N

物化性质

• 沸点：
  413.9±45.0 °C(Predicted)
• 密度：
  1.166±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  54.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  均三甲苯 、 二(2-噻吩基羰基)过氧化物 生成 2,4,6-trimethylphenyl 2-thiophenecarboxylate
  参考文献：
  名称：

  TAKAHARA, SHIGERU;KITAMURA, AKIHIDE;SAKURAGI, HIROCHIKA;TOKUMARU, KATSUMI, CHEM. LETT., 1983, N 8, 1315-1318

  摘要：

  DOI：

文献信息

• The Role of Aroyloxyl Radicals in the Formation of Solvent-derived Products in Photodecomposition of Diaroyl Peroxides. The Reactivity of Substituted Cyclohexadienyl Radicals and Intermediacy of ipso Intermediates
  作者：Shigeru Takahara、Toshiyuki Urano、Akihide Kitamura、Hirochika Sakuragi、Osamu Kikuchi、Masayuki Yoshida、Katsumi Tokumaru

  DOI：10.1246/bcsj.58.688

  日期：1985.2

  peroxide (TPO) in benzene and toluene afforded, among free-radical products, biphenyl and dimethylbiphenyls, respectively, which were solely derived from the aromatic solvents. The yields of biphenyls depended upon the rate with which the radical intermediates were generated from the peroxides in sufficiently high concentrations for their dimerization. Photolyses of TPO and dibenzoyl peroxide in 1,3

  双（2-噻吩羰基）过氧化物（TPO）在苯和甲苯中的光解分别产生了自由基产物中的联苯和二甲基联苯，它们完全来自芳香族溶剂。联苯的产率取决于从足够高浓度的过氧化物生成自由基中间体以进行二聚的速率。TPO 和过氧化二苯甲酰在 1,3,5-三甲基苯中的光解也提供了溶剂衍生产物，2,3',4,5',6-五甲基二苯基甲烷。它的形成为在甲基取代的同碳原子上带有芳酰氧基的环己二烯基参与提供了明确的证据。
• INTERMEDIACY OF CYCLOHEXADIENYL RADICALS WITH AN AROYLOXY GROUP ON THE METHYL-SUBSTITUTED IPSO CARBON ATOM IN PHOTOLYSES OF BIS(2-THIOPHENECARBONYL) AND DIBENZOYL PEROXIDES IN 1,3,5-TRIMETHYLBENZENE
  作者：Shigeru Takahara、Akihide Kitamura、Hirochika Sakuragi、Katsumi Tokumaru

  DOI：10.1246/cl.1983.1315

  日期：1983.8.5

  Investigation of the products arising from photolyses of bis(2-thiophenecarbonyl) and dibenzoyl peroxides in 1,3,5-trimethylbenzene provided clear evidence for participation of cyclohexadienyl radicals with the aroyloxy group on the methyl-substituted ipso carbon atom in formation of 2′,3′,4,5′,6-pentamethyldiphenylmethane through recombination with 3,5-dimethylphenylmethyl radicals.

  对1,3,5-三甲基苯中双(2-噻吩羧基)和二苯甲酰过氧化物光解产物的研究清楚地证明了环己二烯基自由基与甲基取代的即位碳原子上的酰氧基团参与反应，通过与3,5-二甲基苯基甲基自由基重组形成2′,3′,4,5′,6-五甲基二苯基甲烷。