2-氯-6-(2,4,6-三氯苯氧基)环己-2,5-二烯-1,4-二酮 | 7714-21-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-氯-6-(2,4,6-三氯苯氧基)环己-2,5-二烯-1,4-二酮
• 英文名称: 2-(2',4',6'-trichlorophenoxy)-6-chloro-1,4-benzoquinone
• 英文别名: 2-chloro-6-(2',4',6'-triphenoxy)-1,4-benzoquinone；2-chloro-6-(2,4,6-trichloro-phenoxy)-[1,4]benzoquinone；2-Chlor-6-(2,4,6-trichlor-phenoxy)-[1,4]benzochinon；2-Chlor-6-(2',4',6'-trichlorphenoxy)-1,4-benzochinon；2-Chloro-6-(2,4,6-trichlorophenoxy)cyclohexa-2,5-diene-1,4-dione
• CAS: 7714-21-8
• 化学式: C₁₂H₄Cl₄O₃
• 分子量: 337.974
• InChiKey: DAHNSSRNKGNVEQ-UHFFFAOYSA-N

物化性质

• 熔点：
  134-135 °C
• 沸点：
  428.8±45.0 °C(Predicted)
• 密度：
  1.68±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  2-氯-6-(2,4,6-三氯苯氧基)环己-2,5-二烯-1,4-二酮 在 盐酸 、 乙醇 作用下， 生成 2,5-dianilino-3-chloro-[1,4]benzoquinone
  参考文献：
  名称：

  Hunter; Morse, Journal of the American Chemical Society, 1926, vol. 48, p. 1623

  摘要：

  DOI：
• 作为产物：
  描述：

  2,4,6-三氯苯酚 在 lead dioxide 、 苯 作用下， 生成 2-氯-6-(2,4,6-三氯苯氧基)环己-2,5-二烯-1,4-二酮
  参考文献：
  名称：

  Hunter; Morse, Journal of the American Chemical Society, 1926, vol. 48, p. 1623

  摘要：

  DOI：

文献信息

• Barium Manganate Oxidation in Organic Synthesis. V. Oxidation of Phenols
  作者：R. G. Srivastava、P. S Venkataramani

  DOI：10.1080/00397919208021076

  日期：1992.1

  Abstract Oxidation of phenols, specially the hindered phenols has been carried out with barium manganate in non-aqueous media under heterogeneous conditions and the results of these studies are described in this paper.

  摘要 用锰酸钡在非水介质中在非均相条件下进行了酚类，特别是受阻酚类的氧化，并在本文中描述了这些研究的结果。
• Molecular Characterization in the VP7, VP4 and NSP4 Genes of Human Rotavirus Serotype 4 (G4) Isolated in Japan and Kenya
  作者：Satoshi Kudo、Yumei Zhou、Xin-Ru Cao、Shigeki Yamanishi、Shuji Nakata、Hiroshi Ushijima

  DOI：10.1111/j.1348-0421.2001.tb01286.x

  日期：2001.2

  AbstractThe VP7, VP4 and NSP4 genes of human rotavirus serotype 4 (G4) were analyzed to investigate intraserotypic variations. The techniques used included reverse transcription polymerase chain reaction with subtype specific primers, restriction fragment length polymorphism analysis and sequence analysis. Twelve isolates (nine from Japan and three from Kenya) and two standard strains (Hochi, Odelia) were G4A P[8] Wa group NSP4. A standard strain (ST3) was G4A P[6] Wa group NSP4 and a strain (VA70) was G4B P[8] Wa group NSP4. These results show G4 rotaviruses can be divided into three combinations at the moment.
• Formation of Dimer-Type Ketals in the Reaction of 2,4,6-Trichlorophenol and 2,4,6-Trichloro-<i>m</i>-cresol with Calcium Hypochlorite in Methanol:  Conversion to Quinones and Other Compounds
  作者：Victor L. Heasley、James D. Anderson、Zachery S. Bowman、John C. Hanley、Geoffery A. Sigmund、David Van Horn、Dale F. Shellhamer

  DOI：10.1021/jo020311n

  日期：2002.9.1

  2,4,6-Trichlorophenol (2) and 2,4,6-trichloro-m-cresol (5) react with calcium hypochlorite (Ca(OCl)(2)) in MeOH to give respectively dimer-type ketals 2-(2',4',6'-trichlorophenoxy)-4,4-dimethoxy-6-chlorocyclohexadien-2,5- one (6) and 2-(3'-methyl-2',4',6'-trichlorophenoxy)-4,4-dimethoxy-5-methyl-6-chlorocyclohexadien-2,5-one (7). Ketal 6, which was too unstable to be isolated, and 7 hydrolyzed in H2O/HCl to 2-(2',4',6'-trichlorophenoxy)-6-chloro-1,4-benzoquinone (8) and 2-(3'-methyl-2',4',6'-trichlorophenoxy)-5methyl-6-chloro-1,4-benzoquinone (9), respectively. Ketal 6 and quinone 8 were also produced when 2 and Ca(OCl)(2) reacted in DMF, followed by addition of MeOH and H2O, respectively. The mechanisms of these reactions are examined. Conversion of the ketals and quinones to other products is described.
• Hunter; Morse, Journal of the American Chemical Society, 1926, vol. 48, p. 1623
  作者：Hunter、Morse

  DOI：——

  日期：——