4,4,5,5,5-pentafluoro-1-(4-fluorophenyl)-1,3-pentanedione | 64287-12-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4,4,5,5,5-pentafluoro-1-(4-fluorophenyl)-1,3-pentanedione
• 英文别名: 4,4,5,5,5-pentafluoro-1-(4-fluoro-phenyl)-pentane-1,3-dione；4,4,5,5,5-Pentafluoro-1-(4-fluorophenyl)pentane-1,3-dione
• CAS: 64287-12-3
• 化学式: C₁₁H₆F₆O₂
• mdl: MFCD03420602
• 分子量: 284.158
• InChiKey: JLZLYBNAGVVUJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4,4,5,5,5-pentafluoro-1-(4-fluorophenyl)-1,3-pentanedione 在 吡啶 、 盐酸羟胺 作用下， 生成 5-(4-fluoro-phenyl)-3-pentafluoroethyl-isoxazole
  参考文献：
  名称：

  Joshi; Pathak; Grover, Pharmazie, 1979, vol. 34, # 2, p. 68 - 69

  摘要：

  DOI：
• 作为产物：
  描述：

  五氟丙酸乙酯 、 4-氟苯乙酮 在 sodium amide 作用下， 以 乙醚 为溶剂， 以60%的产率得到4,4,5,5,5-pentafluoro-1-(4-fluorophenyl)-1,3-pentanedione
  参考文献：
  名称：

  氟化1,3-二酮的改性合成

  摘要：

  在0°C下对氟化芳基甲基酮与乙酯的酰化反应进行了重新研究，从而以优异的收率得到了氟化1，3-二酮。

  DOI：

  10.1016/s0022-1139(00)81942-9

文献信息

• Studies in fluorinated 1,3-diketones and related compounds. Part XVII. Synthesis and spectroscopic studies of some new 5-alkyl-3-fluoroaryl-1-pentafluoroaryl-pyrazoles and 2-amino-6-alkyl(perfluoroalkyl)-4-aryl pyrimidines
  作者：Vineeta Sareen、Sunita Jain

  DOI：10.1016/s0022-1139(00)80570-9

  日期：1993.8

  Six new 3-(4′-fluorophenyl)-1,5-trisubstituted pyrazoles have been synthesized from the appropriate fluorinated 1,3-diketones and pentafluorophenylhydrazine in the presence of absolute ethanol and hydrochloric acid, viz., 1-pentafluorophenyl-3-(4′-fluorophenyl)-5- methylpyrazole, 1-pentafluorophenyl-3-(4′-fluorophenyl)-5-trifluoromethylpyrazole, 5- ethyl-1-pentafluorophenyl-3-(4′-fluorophenyl) pyrazole

  在无水乙醇和盐酸存在下，由适当的氟化1,3-二酮和五氟苯基肼合成了六种新的3-（4'-氟苯基）-1,5-三取代的吡唑，即1-五氟苯基-3- （4'-氟苯基）-5-甲基吡唑，1-五氟苯基-3-（4'-氟苯基）-5-三氟甲基吡唑，5-乙基-1-五氟苯基-3-（4'-氟苯基）吡唑，5-（五氟乙基） ）-1-五氟苯基-3-（4'-氟苯基）吡唑，1-五氟苯基-3-（4'-氟苯基）5-正丙基吡唑和5-（七氟丙基）-1-五氟苯基-3-（4'-氟苯基）吡唑。此外，在盐酸存在下，以无水乙醇为溶剂，由相同的二酮和碳酸胍制备了六种新的2-氨基-4-（4'-氟苯基）-6-烷基（全氟烷基）-三取代的嘧啶，即 2-氨基-4（4'-氟苯基）-6-甲基嘧啶，2-氨基-4（4'-氟苯基）-6-三氟甲基嘧啶，2-氨基-6-乙基-4（4'-氟苯基）嘧啶，2 -氨基-6-五氟乙基-4-（4'-氟苯基）嘧啶，2-氨基-4-（4'-
• Dissociative fluorescence enhancement assay
  申请人：——

  公开号：US20030170907A1

  公开（公告）日：2003-09-11

  The invention relates to an enhancement solution for an assay technology using lanthanide ions or their chelates as labels and dissociative fluorescence enhancement as a tool for detection, wherein said enhancement solution comprises a &bgr;-dietone of formula I 1 wherein R 1 is an aryl, optionally mono- or multi-substituted, and R 2 is a straight or branched alkyl chain with 2 to 9 carbon atoms substituted with four or more fluorine atoms. The invention further relates to a bioaffinity assay using lanthanide ions or their chelates as labels and dissociative fluorescence enhancement as a tool for detection comprising the use of said enhancement solution.

  本发明涉及一种增强溶液，用于利用镧系离子或其螯合物作为标记物和解离荧光增强作为检测工具的测定技术，其中所述增强溶液包括式I的β-二酮，其中R1是芳基，可选地单取代或多取代，R2是直链或支链烷基链，具有2至9个碳原子，取代有四个或更多氟原子。本发明还涉及一种生物亲和测定，使用镧系离子或其螯合物作为标记物和解离荧光增强作为检测工具，包括使用所述增强溶液。
• Joshi, Krishna C.; Jain, Renuka; Dandia, Anshu, Journal of Heterocyclic Chemistry, 1988, vol. 25, # 6, p. 1641 - 1643
  作者：Joshi, Krishna C.、Jain, Renuka、Dandia, Anshu、Sharma, Kanti

  DOI：——

  日期：——
• SYNTHESIS OF SOME 1-FLUOROARYL-1,3-DIKETONES, BIS(1,3-DIKETONATO)COPPER(II), BIS(1,3-DIKETONATO)DIOXOURANIUM(VI), AND THEIR ELECTROPHILIC SUBSTITUTION REACTIONS
  作者：Vijai N. Pathak、Chandra K. Oza、Ragini Gupta、Ranjana Tiwari、Sarita Chaudhary

  DOI：10.1081/sim-120013154

  日期：2002.11.2

  Some 1-fluoroaryl-1,3-diketones were prepared by treatment of methyl 1-fluoroaryl ketone with ethyl acetate, ethyl fluoroacetate or ethyl pentafluoropropionate in the presence of sodamide which were characterized in the form of their copper chelates. 1-Substituted-aryl-1,3-diketones (la-h) in turn on treatment with uranyl acetate afforded corresponding bis(1,3-diketonato) dioxouranium(VI) (3a-f). Bis(1,3-diketonato)dioxouranium(VI) (3a-f) when subjected to electrophilic bromination or nitration reactions yielded bis(2-bromo1,3-diketonato)dioxouranium(VI) (4a-e) and bis(2-nitro-I,3-diketonato)dioxouranium(VI) (5a-e), respectively. The bonding mode of the ligands to the uranium ion has also been determined from IR and H-1 NMR spectral studies.
• Joshi, Krishna C.; Joshi, Bidya S., Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 1985, vol. 24, # 6, p. 527 - 528
  作者：Joshi, Krishna C.、Joshi, Bidya S.

  DOI：——

  日期：——