5-acetoxy-1,2,3-trimethylbenzene | 6719-74-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 5-acetoxy-1,2,3-trimethylbenzene
• 英文别名: acetic acid-(3,4,5-trimethyl-phenyl ester)；Essigsaeure-(3,4,5-trimethyl-phenylester)；5-Acetoxy-1.2.3-trimethyl-benzol；(3.4.5-Trimethyl-phenyl)-acetat；5-Acetoxy-hemellitol；Hemellitenylacetat；3,4,5-Trimethylphenyl acetate；(3,4,5-trimethylphenyl) acetate
• CAS: 6719-74-0
• 化学式: C₁₁H₁₄O₂
• 分子量: 178.231
• InChiKey: ZXBLICCWAOZHAR-UHFFFAOYSA-N

物化性质

• 沸点：
  256.6±9.0 °C(Predicted)
• 密度：
  1.013±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-acetoxy-1,2,3-trimethylbenzene 在 三氯化铝 作用下， 生成 1-(6-hydroxy-2,3,4-trimethylphenyl)ethanone
  参考文献：
  名称：

  v.Auwers; Bundesmann; Wieners, Justus Liebigs Annalen der Chemie, 1926, vol. 447, p. 180

  摘要：

  DOI：
• 作为产物：
  描述：

  三甲苯 生成 5-acetoxy-1,2,3-trimethylbenzene
  参考文献：
  名称：

  KURZ E. M.; WOODBY E., J. ORG. CHEM. , 1976, 41, NO 14, 2443-2447

  摘要：

  DOI：

文献信息

• The role of nitrate free radicals in the photochemical side-chain nitrooxylation of alkylbenzenes by cerium(IV) ammonium nitrate in acetonitrile
  作者：E. Baciocchi、I. Del Giacco、C. Rol、G.V. Sebastiani

  DOI：10.1016/s0040-4039(00)61933-0

  日期：1985.1

  It is suggested that the reactive species in the CAN-induced photochemical side-chain nitrooxylation of alkylbenzenes is the nitrate radical, which probably acts as one-electron oxidant.

  建议在CAN诱导的烷基苯的光化学侧链硝基氧化中的反应性物种是硝酸根，它可能起单电子氧化剂的作用。
• The acetoxylation of arenes. Part VI. Formation of 4-nitrocyclohexa-2,5-dienones in the nitration of bromo-, acetoxy- and methoxy-arenes
  作者：D. J. Blackstock、M. P. Hartshorn、A. J. Lewis、K. E. Richards、J. Vaughan、G. J. Wright

  DOI：10.1039/j29710001212

  日期：——

  Reaction of 5-substituted-hemimellitenes (1,2,3-trimethylbenzenes)(3a—c) and 4-substituted-o-xylenes (3d—f) with nitric acid–acetic anhydride gives 4-nitrocyclohexa-2,5-dienones (5a) and (5b) in addition to normal substitution products.

  5-取代的半亚甲基（1,2,3-三甲基苯）（3a-c）和4-取代的邻二甲苯（3d-f）与硝酸-乙酸酐的反应生成了4-硝基环己-2,5-二壬烯（5a）和（5b）除正常替代产品外。
• Process for preparing trimethylhydroquinone diacetate and trimethylhydroquinone
  申请人：Degussa AG

  公开号：US06350897B2

  公开（公告）日：2002-02-26

  A process for preparing trimethylhydroquinone diacetate, with subsequent hydrolysis to give trimethylhydroquinone, the process including reacting 2,2,6-trimethylcyclohexane-1,4-dione under oxidative conditions, in the presence of a sulfonating agent and a strong acid, and in the presence of an acylating agent.

  一种制备三乙酰基三甲基对苯二酚，并随后水解得到三甲基对苯二酚的过程，包括在氧化条件下，在磺化剂和强酸的存在下，以及在酰化剂的存在下，反应2,2,6-三甲基环己烷-1,4-二酮。
• Heterocyclic derivatives as opioid receptor modulators
  申请人：Janssen Pharmaceutica NV

  公开号：EP2275105A1

  公开（公告）日：2011-01-19

  This invention is directed towards compounds of formula (II) as intermediates for opioid receptor modulators, antagonists, and agonists useful for the treatment of opioid modulated disorders such as pain and gastrointestinal disorders.

  本发明的目的是将式（II）化合物作为阿片受体调节剂、拮抗剂和激动剂的中间体，用于治疗阿片受体调节紊乱，如疼痛和胃肠功能紊乱。
• Inhibition of dark spots growth in organic electroluminescent devices
  作者：M.K Fung、Z.Q Gao、C.S Lee、S.T Lee

  DOI：10.1016/s0009-2614(00)01407-x

  日期：2001.1

  Humidity-induced oxidation has been considered as a major cause for the growth of dark spots in organic electroluminescent devices. In this Letter, we found that a layer of 100 nn thick calcium deposited on top of the magnesium:silver (Mg:Ag) cathode can slow down the growth rate of dark spots. Further experiments verified that calcium not in direct contact with the cathode could not protect the dark spots against growing. This excludes the possibility that the protective function of calcium derives solely from its action as a moisture-resistive agent. In contrast, calcium functions as a sacrificial metal forming a galvanic couple with the magnesium electrode such that calcium would oxidize in preference to the Mg:Ag. (C) 2001 Elsevier Science B.V. All rights reserved.