1,1,1,7,7,7-hexafluoroheptane-2,4,6-trione | 43150-54-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,1,1,7,7,7-hexafluoroheptane-2,4,6-trione
• CAS: 43150-54-5
• 化学式: C₇H₄F₆O₃
• 分子量: 250.097
• InChiKey: PIYCFRMFDLHBBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  51.2
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  1,1,1,7,7,7-hexafluoroheptane-2,4,6-trione 在 溶剂黄146 作用下， 以 甲醇 、 正己烷 为溶剂， 反应 0.25h， 生成 1,1,1-trifluoro-3-(4-trifluoromethyl-1,3-dihydrobenzo[b][1,4]diazepin-(2Z)-ylidene)propan-2-one
  参考文献：
  名称：

  Synthesis and Tautomeric Equilibrium of Polyfluoroacyl-Containing 1,5-Benzodiazepines

  摘要：

  The reaction of bis(polyfluoroalkyl)-containing 1,3,5-triketones with o-phenylenediamine yielded 2-polyfluoroacylmethylene-4-polyfluoroalkyl-1,3- or 1,5-dihydro-1,5-benzodiazepines. The tautomeric equilibrium of the obtained benzodiazepines in CDCl3, CD3CN, DMSO, and DMF solution was studied.

  DOI：

  10.1007/s00706-003-0117-y
• 作为产物：
  描述：

  cis-tetrahydro-2,6-dihydroxy-2,6-bis(trifluoromethyl)pyran-4-one 以 甲苯 为溶剂， 反应 2.0h， 以84%的产率得到1,1,1,7,7,7-hexafluoroheptane-2,4,6-trione
  参考文献：
  名称：

  Synthesis of 1,1,1,7,7,7-hexafluoroheptane-2,4,6-trione, the simplest fluorinated 1,3,5-triketone

  摘要：

  A simple, convenient and effective method to synthesize 1,1,1,7,7,7-hexafluoroheptane-2,4,6-trione, the simplest fluorinated 1,3,5-triketone, on a preparative scale was developed. The title compound was obtained by a Claisen-type double condensation of acetone with trifluoroacetic acid ethyl ester and isolated as a solid monohydrate from the reaction mixture. Subsequent dehydration proceeds smoothly to produce the desired compound as an individual substance. Its peculiar tautomeric (keto-enol, ring-chain) features in various solvents are discussed. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2006.03.018

文献信息

• Reaction of 1,5-Bis(polyfluoroalkyl)-1,3,5-triketones with Amidines
  作者：D. S. Yachevskii、D. L. Chizhov、G. L. Rusinov、V. N. Charushin

  DOI：10.1134/s1070428019060241

  日期：2019.6

  Previously unknown 4-(polyfluoroacylmethyl)-substituted pyrimidines were synthesized by reaction of 1,5-bis(polyfluoroalkyl)-1,3,5-triketones with amidines.

  通过1，5-双（多氟烷基）-1，3，5-三酮与am的反应合成了以前未知的4-（多氟酰基甲基）取代的嘧啶。
• Catalytic systems based on the organic nickel(ii) complexes in chronoamperometric determination of urea and creatinine
  作者：A. N. Kozitsina、Zh. V. Shalygina、S. S. Dedeneva、G. L. Rusinov、S. G. Tolshchina、E. V. Verbitskiy、Kh. Z. Brainina

  DOI：10.1007/s11172-009-0145-9

  日期：2009.6

  The organic nickel(ii) complexes with catalytic activity in the electrochemical oxidation of creatinine and urea were synthesized and studied. The signals of electrocatalytic oxidation of the studied carbonyl-containing amines in model solutions were obtained. The detection limit (by the 3σ-criterion) is 8.7·10−6 and 2.7·10−5 mol L−1 for urea and creatinine, respectively.

  合成并研究了在肌酐和尿素的电化学氧化中具有催化活性的有机镍（ii）配合物。获得了所研究的含羰基胺在模型溶液中的电催化氧化信号。尿素和肌酐的检测限（按 3σ 标准）分别为 8.7-10-6 和 2.7-10-5 mol L-1。
• Employment of triketones to construct a dysprosium(<scp>iii</scp>) single-molecule magnet
  作者：Chao Wang、Shuang-Yan Lin、Jianfeng Wu、Sen-Wen Yuan、Jinkui Tang

  DOI：10.1039/c4dt03494e

  日期：——

  The use of a completely unexplored triketone ligand in 4f coordination chemistry has afforded a new dinuclear dysprosium(iii) SMM.

  在4f配位化学中使用一个完全未探索的三酮配体，得到了一种新的双核镝(iii)单分子磁体。
• Unusual transformations of lithium enolate of ethyl 4,4,4-trifluoro-3-oxobutanoate
  作者：N. S. Boltacheva、P. A. Slepukhin、D. L. Chizhov、D. S. Yachevskii、V. I. Filyakova、V. N. Charushin

  DOI：10.1007/s11172-012-0082-x

  日期：2012.3

  The present paper describes unusual reactions of lithium enolate of ethyl 4,4,4-trifluoro-3-oxobutanoate with ammonium acetate and 1-aminonaphthalene. These reactions produce 4-amino-2,6-bis(trifluoromethyl)pyridine and 4-trifluoromethyl-2-[(Z)-1,1,1-trifluoroprop-1-en-2-ol-1-yl]benzo[h]quinoline, respectively. The reaction of 1,1,7,7,7-hexafluoroheptane-2,4,6-trione hydrate with 1-naphthylamine gives a mixture of 4-trifluoromethyl-2-[(Z)-1,1,1-trifluoroprop-1-en-2-ol-1-yl]benzo[h]quinoline and N,N′-bis(naphth-1-yl)-2,6-bis(trifluoromethyl)pyridine-4(1H)-imine, respectively.

  本文描述了 4,4,4-三氟-3-氧代丁酸乙酯的锂烯醇盐与乙酸铵和 1-氨基萘的不寻常反应。这些反应分别生成了 4-氨基-2,6-双（三氟甲基）吡啶和 4-三氟甲基-2-[(Z)-1,1,1-三氟丙基-1-烯-2-醇-1-基]苯并[h]喹啉。1,1,7,7,7-六氟庚烷-2,4,6-三酮一水合物与 1-萘胺反应生成 4-三氟甲基-2-[(Z)-1,1,1-三氟丙烯-1-2-醇-1-基]苯并[h]喹啉的混合物、1-三氟丙-1-烯-2-醇-1-基]苯并[h]喹啉和 N,N′-双(萘-1-基)-2,6-双(三氟甲基)吡啶-4(1H)-亚胺的混合物。
• Pyridinyl-quinolone compounds, their preparation and use
  申请人：Sterling Drug Inc.

  公开号：US05169853A1

  公开（公告）日：1992-12-08

  Fluorinated 1- cyclopropyl-7-(substituted-pyridinyl)-1,4-dihydro-4-oxo-3-quinolinecarboxy lic acids of the formula ##STR1## wherein R is hydrogen, R' and R" are hydrogen or fluoro, and Z is 3- or 4-pyridinyl substituted by alkyl groups or substituted alkyl groups, are superior antibacterial agents. They are prepared via a coupling reaction between the corresponding esters (R=alkyl) having a halo group in the 7-position and a substituted (trialkylstannyl)-pyridine.

  化合物的中文翻译如下：氟代1-环丙基-7-(取代吡啶基)-1,4-二氢-4-氧代-3-喹啉羧酸，其化学式为##STR1##其中R为氢，R'和R"为氢或氟，Z为被烷基或取代烷基取代的3-或4-吡啶基。它们是优良的抗菌剂。它们通过对应酯（R=烷基）在7位具有卤素基和取代（三烷基锡基）-吡啶之间的偶联反应制备而成。