4-chloro-2,3,4,5,6-pentafluorocyclohexa-2,5-dienone | 42289-22-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-chloro-2,3,4,5,6-pentafluorocyclohexa-2,5-dienone
• 英文别名: 4-chloropentafluoro-2,5-cyclohexadienone；pentafluorochloro-2,5-cyclohexadien-1-one；4-chloropentafluorocyclohexa-2,5-dienone；4-chloropentafluorocyclohexa-2,5-dien-1-one；4-Chlorpentafluorcyclohexa-2,5-dien-1-on；4-Chloro-2,3,4,5,6-pentafluorocyclohexa-2,5-dien-1-one
• CAS: 42289-22-5
• 化学式: C₆ClF₅O
• 分子量: 218.51
• InChiKey: ZYFLEZDUGHLKHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  甲醇 、 4-chloro-2,3,4,5,6-pentafluorocyclohexa-2,5-dienone 反应 720.0h， 以77.6%的产率得到3-methoxy-4-chlorotetrafluoro-2,5-cyclohexadien-1-one
  参考文献：
  名称：

  Reaction of 4-chlorohexafluoro-2,5-cyclohexadienyl fluorosulfate and hexafluoro-2,5-cyclohexadienylene 1,4-bis(fluorosulfate) with nucleophilic reagents

  摘要：

  DOI：

  10.1007/bf00959377
• 作为产物：
  描述：

  4-chlorohexafluoro-2,5-cyclohexadienyl fluorosulfate 在 水 作用下， 生成 4-chloro-2,3,4,5,6-pentafluorocyclohexa-2,5-dienone
  参考文献：
  名称：

  Some reactions of 4-chloropentafluoro-2, 5-cyclohexadiene fluorosulfate

  摘要：

  DOI：

  10.1007/bf01143939

文献信息

• Formation of Fluorinated 1-Oxaspiro[2.5]octa-4,7-dienes from Polyfluorinated Cyclohexa-2,5-dienones with Diazomethane and Reactions with Aryl and2-Chloroethyl Isocyanates
  作者：Vladimir N. Kovtonyuk、Ljubov S. Kobrina、Olga M. Kataeva,、Günter Haufe

  DOI：10.1002/ejoc.200400559

  日期：2005.3

  The reactions of four polyfluorinated cyclohexa-2,5-dienones 1a–1d, additionally substituted with an electron withdrawing substituent at the 4-position, with diazomethane give mixtures of two diastereomeric fluorinated 1-oxaspiro[2.5]octa-4,7-dienes 2 and 3. Compounds 2a/3a and 2b/3b react with aryl and 2-chloroethyl isocyanates in the presence of lithium chloride or sodium pentafluorophenoxide to

  四个多氟环六-2,5-二烯酮 1a-1d，在 4-位额外被吸电子取代基取代，与重氮甲烷反应得到两种非对映异构氟化 1-氧杂螺[2.5]八-4,7-二烯的混合物2 和 3. 化合物 2a/3a 和 2b/3b 在氯化锂或五氟苯醚钠的存在下与芳基和 2-氯乙基异氰酸酯反应形成氟化二氢-1,3-苯并恶唑-2(3H)-酮 5a-5c 作为主要产品。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
• Formation of polyfluorinated azobenzenes and azophenols in the reactions of chloropentafluoro-cyclohexa-2,5- and -2,4-dienones with phenyl- and pentafluorophenylhydrazines
  作者：V. N. Kovtonyuk

  DOI：10.1134/s1070428014010060

  日期：2014.1

  4-Chloropentafluorocyclohexa-2,5-dienone reacted with phenyl- and pentafluorophenylhydrazines in the presence of AlCl3 via addition to the carbonyl group with formation of the corresponding azobenzenes. The reaction of 6-chloropentafluorocyclohexa-2,4-dienone with phenyl- and pentafluorophenylhydrazines both in the presence and in the absence of AlCl3 afforded mainly 3-arylazotetrafluorophenols as products of nucleophilic replacement of fluorine atom at the double C=C bond.
• Synthesis of fluorine-containing 1,4-dioxa-2-azaspiro-[4.5]deca-2,6,9-trienes by reaction of polyfluorinated cyclohexa-2,5-dienones with nitrile oxides
  作者：V. N. Kovtonyuk、L. S. Kobrina、Yu. V. Gatilov

  DOI：10.1134/s1070428012060061

  日期：2012.6

  4-Pentafluorophenoxy-, 4-nitro-, and 4-chloropentafluorocyclohexa-2,5-dien-1-ones and 3,4,5-tris-(pentafluorophenoxy)trifluorocyclohexa-2,5-dien-1-one react with some benzonitrile and acetonitrile oxides exclusively at the carbonyl group, leading to the formation of mixtures of diastereoisomeric fluorinated 1,4-dioxa-2-azaspiro[4.5]deca-2,6,9-trienes in good yield.
• Andreevskaya, O. I.; Krupoder, S. A.; Markovskii, L. N., Journal of Organic Chemistry USSR (English Translation), 1980, vol. 16, p. 722 - 728
  作者：Andreevskaya, O. I.、Krupoder, S. A.、Markovskii, L. N.、Furin, G. G.、Shermolovich, Yu. G.、Yakobson, G. G.

  DOI：——

  日期：——
• FOKIN, A. V.;STUDNEV, Y. N.;RAPKIN, A. I., J. FLUOR. CHEM., 1981, 18, N 4, 553-572
  作者：FOKIN, A. V.、STUDNEV, Y. N.、RAPKIN, A. I.

  DOI：——

  日期：——