5,8-Dimethyl-d6-1-tetralone-6,7-d2 | 132046-88-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 5,8-Dimethyl-d6-1-tetralone-6,7-d2
• 英文别名: 5,8-dimethyl-1-tetralone-d8；6,7-dideuterio-5,8-bis(trideuteriomethyl)-3,4-dihydro-2H-naphthalen-1-one
• CAS: 132046-88-9
• 化学式: C₁₂H₁₄O
• 分子量: 182.179
• InChiKey: ZSMGKPHICFZGQU-CYNCDMODSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  5,8-Dimethyl-d6-1-tetralone-6,7-d2 以 乙醚 、 乙醇 、 2-甲基丁烷 为溶剂， 生成 6,7-dideuterio-4-deuteriooxy-5-(dideuteriomethylidene)-8-(trideuteriomethyl)-2,3-dihydro-1H-naphthalene
  参考文献：
  名称：

  Kinetics of photoenolization of 5,8-dimethyl-1-tetralone: hydrogen-transfer tunnel-effects in the excited triplet state.

  摘要：

  The kinetics of the photoenolization of 5,8-dimethyl-1-tetralone (DMT) has been studied laser-flash photolytically in a polar solvent at different temperatures between 80 and 290 K. The transient absorption spectra of the tautomeric keto and enol triplet states of DMT were determined between 320 and 490 nm by analyzing absorbance decay traces kinetically. It could be shown that the hydrogen-transfer reaction in the excited triplet states of DMT is largely governed by tunnel effects. Nonlinear Arrhenius plots and large isotope effects provide convincing evidence for these tunnel contributions to the rate of the keto-enol tautomerization in the excited triplet state. The hydrogen and deuterium transfer rate data of DMT are very similar to those of 2-(2'-hydroxyphenyl)benzoxazole, where tunnel effects in the excited triplet states also play an important role.

  DOI：

  10.1021/j100158a025
• 作为产物：
  描述：

  丁二酸 、 氘代对二甲苯-d10 生成 5,8-Dimethyl-d6-1-tetralone-6,7-d2
  参考文献：
  名称：

  Kinetics of photoenolization of 5,8-dimethyl-1-tetralone: hydrogen-transfer tunnel-effects in the excited triplet state.

  摘要：

  The kinetics of the photoenolization of 5,8-dimethyl-1-tetralone (DMT) has been studied laser-flash photolytically in a polar solvent at different temperatures between 80 and 290 K. The transient absorption spectra of the tautomeric keto and enol triplet states of DMT were determined between 320 and 490 nm by analyzing absorbance decay traces kinetically. It could be shown that the hydrogen-transfer reaction in the excited triplet states of DMT is largely governed by tunnel effects. Nonlinear Arrhenius plots and large isotope effects provide convincing evidence for these tunnel contributions to the rate of the keto-enol tautomerization in the excited triplet state. The hydrogen and deuterium transfer rate data of DMT are very similar to those of 2-(2'-hydroxyphenyl)benzoxazole, where tunnel effects in the excited triplet states also play an important role.

  DOI：

  10.1021/j100158a025

文献信息

• Kinetics of photoenolization of 5,8-dimethyl-1-tetralone: hydrogen-transfer tunnel-effects in the excited triplet state.
  作者：W. Al-Soufi、A. Eychmueller、K. H. Grellmann

  DOI：10.1021/j100158a025

  日期：1991.3

  The kinetics of the photoenolization of 5,8-dimethyl-1-tetralone (DMT) has been studied laser-flash photolytically in a polar solvent at different temperatures between 80 and 290 K. The transient absorption spectra of the tautomeric keto and enol triplet states of DMT were determined between 320 and 490 nm by analyzing absorbance decay traces kinetically. It could be shown that the hydrogen-transfer reaction in the excited triplet states of DMT is largely governed by tunnel effects. Nonlinear Arrhenius plots and large isotope effects provide convincing evidence for these tunnel contributions to the rate of the keto-enol tautomerization in the excited triplet state. The hydrogen and deuterium transfer rate data of DMT are very similar to those of 2-(2'-hydroxyphenyl)benzoxazole, where tunnel effects in the excited triplet states also play an important role.