1,1,1,5,5,5-hexafluoro-3-(isobutoxymethylene)pentane-2,4-dione | 128997-78-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,1,1,5,5,5-hexafluoro-3-(isobutoxymethylene)pentane-2,4-dione
• 英文别名: 1,1,1,5,5,5-Hexafluoro-3-(isobutoxymethylene)-2,4-pentanedione；1,1,1,5,5,5-hexafluoro-3-(2-methylpropoxymethylidene)pentane-2,4-dione
• CAS: 128997-78-4
• 化学式: C₁₀H₁₀F₆O₃
• 分子量: 292.178
• InChiKey: POFONQZCXSSTFZ-UHFFFAOYSA-N

物化性质

• 沸点：
  210.0±40.0 °C(Predicted)
• 密度：
  1.323±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  1,1,1,5,5,5-hexafluoro-3-(isobutoxymethylene)pentane-2,4-dione 在 ammonium hydroxide 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以82%的产率得到3-Aminomethylene-1,1,1,5,5,5-hexafluoro-pentane-2,4-dione
  参考文献：
  名称：

  Facile and Convenient Synthetic Methods for Bis(trifluoroacetyl)keteneN,O-,N,S- andS,S-Acetals and 2,2-Bis(trifluoroacetyl)vinylamines and Sulfides

  摘要：

  (三氟乙酰基)烯酮N,O-、N,S-和S,S-缩醛的三氟乙酰化[4-二烷基氨基-4-乙氧基(甲硫基)-1,1,1-三氟-3-丁烯-2-酮和4 ,4-双(甲硫基)-1,1,1-三氟-3-丁烯-2-酮]得到相应的1,1,1-三氟-3-(三氟乙酰基)-3-丁烯-2-酮。 4-氨基-和4-烷基(芳基)硫基-1,1,1-三氟-3-(三氟乙酰基)-3-丁烯-2-酮是通过1,1,1-三氟的O-N和O-S交换反应获得的-4-异丁氧基-3-(三氟乙酰基)-3-丁烯-2-酮分别与胺和硫醇反应。

  DOI：

  10.1055/s-1992-26134
• 作为产物：
  描述：

  乙烯基异丁醚 、 三氟乙酸酐 生成 1,1,1,5,5,5-hexafluoro-3-(isobutoxymethylene)pentane-2,4-dione
  参考文献：
  名称：

  NOJE, MASARU;MASUDE, RYOICHI;OKADE, ETSUJI, HETEROCYCLES, 1985, 23, N 1, 210

  摘要：

  DOI：

文献信息

• Synthesis of New Polyfluoroalkyl-Containing Pyrones, Pyridones and Pyrido[1,2-<i>a</i>]benzazoles from Fluorinated β-Alkoxyenones
  作者：Igor Gerus、Günter Haufe、Nataliya Tolmachova、Sergey Vdovenko、Yuriy Kirzhner

  DOI：10.1055/s-2007-990891

  日期：2007.12

  Fluorinated enones were reacted with thiazoles, imidazoles, benzimidazoles and benzthiazoles bearing methylene groups activated by electron-withdrawing substituents. The reactions start with a nucleophilic attack of the methylene carbon on the β-position of the enones. If the starting methylene compound contains a thi-azole ring, pyrones or pyridones were formed due to participation of the ester or

  氟化烯酮与带有被吸电子取代基活化的亚甲基的噻唑、咪唑、苯并咪唑和苯并噻唑反应。反应以亚甲基碳对烯酮的 β 位的亲核攻击开始。如果起始亚甲基化合物含有噻唑环，则由于酯或腈基团的参与而形成吡喃酮或吡啶酮。在其他情况下，通过相应唑环的氮原子的参与获得咪唑-、苯并咪唑-或苯并噻唑-吡啶。除最终产品外，一些初级产品被分离或证明为中间体。
• New approach to CF3-containing polysubstituted anilines: reaction of β-trifluoroacetylvinyl ethers with enamines
  作者：Dmitriy M Volochnyuk、Alexander N Kostyuk、Dmitriy A Sibgatulin、Alexander N Chernega、Alexander M Pinchuk、Andrei A Tolmachev

  DOI：10.1016/j.tet.2004.01.010

  日期：2004.3

  The reaction of β-trifluoroacetylvinyl ethers with ‘push–pull’ enamines having a methyl group at the α-position was investigated. As a result, a set of CF3-containing dialkyl anilines and their covalent hydrates were obtained. A possible reaction mechanism and the stability of the covalent hydrates obtained are discussed.

  研究了β-三氟乙酰乙烯基醚与在α位具有甲基的“推挽”烯胺的反应。结果，获得了一组含CF 3的二烷基苯胺及其共价水合物。讨论了可能的反应机理和所得共价水合物的稳定性。
• Fluoro organics: A facile and exclusive synthesis of novel 2- or 4-trifluoromethyl(1H,5)arylodiazepines
  作者：A Chandra Sheker Reddy、P Shanthan Rao、R.V Venkataratnam

  DOI：10.1016/0040-4039(96)00402-9

  日期：1996.4

  Exclusive formation of either 2- or 4-trifluoromethyl(1H,5)arylodiazepines was observed in the condensation of 1,1,1-trifluoro-3-(isobutoxymethylene)-2-propanones (RH,COCF3) 2 with o-arylenediamines 1 under microwave irradiation conditions. Thermal reactions under the same temperature and time produced no products.

  在1,1,1-三氟-3-（异丁氧基亚甲基）-2-丙烷（RH，COCF 3）2与邻位缩合反应中观察到2-或4-三氟甲基（1H，5）芳基二氮杂的排他性形成。-芳基二胺1在微波辐射条件下。在相同温度和时间下的热反应不会产生任何产物。
• A new synthetic route to fluorinated pyrazolo[3,4-b]pyridines and their use in the preparation of novel pyrido[2′,3′:3,4]pyrazolo[1,5-a]pyrimidines
  作者：A. Chandra Sheker Reddy、B. Narsaiah、R.V. Venkataratnam

  DOI：10.1016/s0022-1139(97)00091-2

  日期：1997.12

  A single-step synthesis of 3-amino-4-trifluoromethyl-6-substituted-1H-pyrazolo[3,4-b]pyridines (7) from 2-O-acetamido-3-cyano-4-tri-fluoromethyl-6-substituted pyridines (6) is described, and their use in the synthesis of novel pyrido[2′,3′:3,4]pyrazolo[1,5-a]pyrimidines (8) under microwave irradiation outlined.

  从2 - O-乙酰氨基-3-氰基-4-三氟甲基-的一步合成3-氨基-4-三氟甲基-6-取代的-1 H-吡唑并[3,4-b]吡啶（7）描述了6-取代的吡啶（6），并概述了它们在微波辐射下在合成新型吡啶并[2'，3'：3,4]吡唑并[1,5-a]嘧啶（8）中的用途。
• Pyrazole-amides and -sulfonamides
  申请人：Atkinson N. Robert

  公开号：US20050049237A1

  公开（公告）日：2005-03-03

  Compounds, compositions and methods are provided which are useful in the treatment of diseases through the inhibition of sodium ion flux through voltage-dependent sodium channels. More particularly, the invention provides pyrazole-amides and -sulfonamides, compositions and methods that are useful in the treatment of central or peripheral nervous system disorders, particularly pain and chronic pain by blocking sodium channels associated with the onset or recurrance of the indicated conditions. The compounds, compositions and methods of the present invention are of particular use for treating neuropathic or inflammatory pain by the inhibition of ion flux through a channel that includes a PN3 subunit.

  本发明提供了一种通过抑制电压依赖性钠通道中的钠离子流来治疗疾病的化合物、组合物和方法。更具体地，本发明提供了吡唑酰胺和磺酰胺，以及其组合物和方法，这些化合物、组合物和方法对于治疗中枢或外周神经系统疾病特别是疼痛和慢性疼痛非常有用，通过阻止与所述疾病的发作或复发有关的钠通道。本发明的化合物、组合物和方法特别适用于通过抑制包括PN3亚基的通道中的离子流来治疗神经病理性或炎性疼痛。