3-甲氧基-5-甲基-[1,2]苯醌 | 60824-63-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-甲氧基-5-甲基-[1,2]苯醌
• 英文名称: 3-methoxy-5-methyl-[1,2]benzoquinone
• 英文别名: 3-Methoxy-5-methyl-[1,2]benzochinon；3-Methoxy-5-methyl-1,2-chinon；3-Methoxy-5-methylcyclohexa-3,5-diene-1,2-dione
• CAS: 60824-63-7
• 化学式: C₈H₈O₃
• 分子量: 152.15
• InChiKey: FMFPQTKEZCXVJB-UHFFFAOYSA-N

物化性质

• 沸点：
  266.7±40.0 °C(Predicted)
• 密度：
  1.17±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-甲氧基-5-甲基-[1,2]苯醌 在 水 作用下， 以 氘代氯仿 、 N,N-二甲基甲酰胺 为溶剂， 生成 Phosphoric acid 2-hydroxy-3-methoxy-5-methyl-phenyl ester dimethyl ester
  参考文献：
  名称：

  Semiquantitative Determination of Quinonoid Structures in Isolated Lignins by ³¹P Nuclear Magnetic Resonance

  摘要：

  A semiquantitative analytical method has been developed for the determination of the total quinonoid content; (o-benzoquinones and p-benzoquinones) of soluble lignins. The method is based on detailed measurements and observations made with model o- and p-quinones, which in dry organic solvents were shown to form adducts with trimethyl phosphite in quantitative yield. These adducts gave P-31 NMR signals for o- and p-quinones at around -46 and -2 ppm, respectively. In the presence of moisture and lignin the adducts from o-quinones were shown to be hydrolyzed to the open ring product, dimethylphenyl phosphate (-2 ppm), at an overall yield of similar to 70%. Similarly, the hydrolysis yields of p-quinone adducts with trimethyl phosphite were similar to 70%. Consequently, a number of important issues in relation to the use of trimethyl phosphite toward the quantitative analysis of quinonoid groups in lignins have been investigated, which permitted the development of an experimental semiquantitative protocol recommended for spectral acquisition.

  DOI：

  10.1021/jf9804802
• 作为产物：
  描述：

  6<(dimethylamino)methyl>-2-methoxy-4-methylphenol 在 potassium nitrososulfonate 作用下， 以 二氯甲烷 为溶剂， 反应 0.25h， 以52%的产率得到3-甲氧基-5-甲基-[1,2]苯醌
  参考文献：
  名称：

  Oxidative degradation of 6-hydroxy-1,2,3,4-tetrahydroisoquinolines and 7-hydroxy-2-benzazepines. A novel route to heterocyclic quinones

  摘要：

  DOI：

  10.1021/jo00288a048

文献信息

• Nucleophilic Deoxyfluorination of Catechols
  作者：Hiroyuki Nemoto、Tsuyoshi Nishiyama、Shuji Akai

  DOI：10.1021/ol200808q

  日期：2011.5.20

  Nucleophilic deoxyfluorinalton of one of the two hydroxyl groups of catechols has been developed via the Umpolung concept. This method was successively applied to naturally occurring catechols, such as catechins and dopamine, to produce novel fluorinated analogues.
• Adler,E.; Andersson,G., Justus Liebigs Annalen der Chemie, 1976, p. 1435 - 1447
  作者：Adler,E.、Andersson,G.

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• Teuber; Staiger, Chemische Berichte, 1955, vol. 88, p. 802,813
  作者：Teuber、Staiger

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• Magnusson,R., Acta Chemica Scandinavica (1947), 1960, vol. 14, p. 1643 - 1653
  作者：Magnusson,R.

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• ADLER E.; ANDERSSON G., J. LIEBIGS ANN. CHEM. <JLAC-BF>, 1976, NO 7-8, 1435-1447
  作者：ADLER E.、 ANDERSSON G.

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