1-(2,4,5-triethylphenyl)ethanone | 2715-54-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2,4,5-triethylphenyl)ethanone
• 英文别名: 5-acetyl-1,2,4-triethylbenzene；2,4,5-Triethylacetophenon；1-(2,4,5-triethyl-phenyl)-ethanone；1-(2,4,5-Triaethyl-phenyl)-aethanon；1¹-Oxo-1.2.4.5-tetraaethyl-benzol；Methyl-(2.4.5-triaethyl-phenyl)-keton；Ethanone, 1-(2,4,5-triethylphenyl)-
• CAS: 2715-54-0
• 化学式: C₁₄H₂₀O
• 分子量: 204.312
• InChiKey: HBRKVQBUDYDXJN-UHFFFAOYSA-N

物化性质

• 沸点：
  72-73 °C(Press: 0.1 Torr)
• 密度：
  0.931±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  存在于主流烟气中。

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  1-(2,4,5-triethylphenyl)ethanone 在 sodium hydroxide 、 硫酸 、 硝酸 、 一水合肼 作用下， 以 氯仿 为溶剂， 反应 4.5h， 生成 1,2,4,5-tetraethyl-3,6-dinitro-benzene
  参考文献：
  名称：

  Effect of transition-metal complexation on the stereodynamics of persubstituted arenes. Evidence for steric complementarity between arene and metal tripod

  摘要：

  The stereodynamics in 1,4-dimethoxy-2,3,5,6-tetraethylbenzene (5), 1,4-bis(methoxymethyl)-2,3,5,6-tetraethylbenzene (6), and 1,4-dineohexyl-2,3,5,6-tetraethylbenzene (7) and their respective tricarbonylchromium complexes, 5(Cr), 6(Cr), and 7(Cr), have been studied by variable-temperature NMR techniques. Barriers to rotation about the sp2-sp3 bonds for 5-7 and 5(Cr)-7(Cr) have been determined using the Gutowsky-Holm approximation to be 7.7, 9.4, 11.2, 6.6, 8.9, and 11.8 kcal/mol, respectively. Unlike previous studies in this area, the stereodynamics of the arene do not change demonstrably upon metal complexation. This observation is attributed to a lock-and-key complementarity between the metal tripod and the arene. The possibility of correlated dynamics between the metal tripod rotation and the ethyl group rotation is discussed.

  DOI：

  10.1021/ja00027a033
• 作为产物：
  描述：

  乙基苯 、 乙酸乙酯 在 三氯化铝 作用下， 生成 1-(2,4,5-triethylphenyl)ethanone
  参考文献：
  名称：

  DE637384

  摘要：

  公开号：

文献信息

• Guaiacol demethoxylation catalyzed by Re2O7 in ethanol
  作者：Fei Yan、Yushuai Sang、Yunfei Bai、Kai Wu、Kai Cui、Zhe Wen、Fuhang Mai、Zewei Ma、Linhao Yu、Hong Chen、Yongdan Li

  DOI：10.1016/j.cattod.2019.07.018

  日期：2020.9

  Re2O7 is used to convert guaiacol in ethanol at 320 °C. Guaiacol is deoxygenated and alkylated, and the major products are phenol and alkylphenols (including ethylphenol, diethylphenol, diisopropylphenol, di-tert-butylphenol and 2,6-di-tert-butyl-4-ethylphenol), accounting for 97 mol% of all products. Both catechol and phenol are the intermediates of guaiacol demethoxylation. Among the substituents

  Re 2 O 7用于在320°C下将愈创木酚转化为乙醇。愈创木酚经过脱氧和烷基化处理，主要产物为苯酚和烷基酚（包括乙基苯酚，二乙基苯酚，二异丙基苯酚，二叔丁基苯酚和2,6-二叔丁基-4-乙基苯酚），占全部的97摩尔％。产品。儿茶酚和苯酚都是愈创木酚脱甲氧基化的中间体。在取代基中，乙基直接由乙醇提供，而异丙基和叔丁基是通过逐步将甲基加成至乙基而形成的。另外，Re 2 O 7对于苯环的饱和具有微不足道的活性，因此它不会引起还原剂的过度消耗。愈创木酚脱甲氧基化的实际催化剂可能是ReIV-VI种。
• Klages; Keil, Chemische Berichte, 1903, vol. 36, p. 1635
  作者：Klages、Keil

  DOI：——

  日期：——
• Riemschneider, Randolph; Buchlow, Gerhard; Wons, Thomas, Zeitschrift fur Naturforschung, B: Chemical Sciences, 1989, vol. 44, # 10, p. 1290 - 1292
  作者：Riemschneider, Randolph、Buchlow, Gerhard、Wons, Thomas

  DOI：——

  日期：——
• Effect of transition-metal complexation on the stereodynamics of persubstituted arenes. Evidence for steric complementarity between arene and metal tripod
  作者：Kathleen V. Kilway、Jay S. Siegel

  DOI：10.1021/ja00027a033

  日期：1992.1

  The stereodynamics in 1,4-dimethoxy-2,3,5,6-tetraethylbenzene (5), 1,4-bis(methoxymethyl)-2,3,5,6-tetraethylbenzene (6), and 1,4-dineohexyl-2,3,5,6-tetraethylbenzene (7) and their respective tricarbonylchromium complexes, 5(Cr), 6(Cr), and 7(Cr), have been studied by variable-temperature NMR techniques. Barriers to rotation about the sp2-sp3 bonds for 5-7 and 5(Cr)-7(Cr) have been determined using the Gutowsky-Holm approximation to be 7.7, 9.4, 11.2, 6.6, 8.9, and 11.8 kcal/mol, respectively. Unlike previous studies in this area, the stereodynamics of the arene do not change demonstrably upon metal complexation. This observation is attributed to a lock-and-key complementarity between the metal tripod and the arene. The possibility of correlated dynamics between the metal tripod rotation and the ethyl group rotation is discussed.
• DE637384
  申请人：——

  公开号：——

  公开（公告）日：——