2,2-双(三氟甲基)丁酰氟 | 14316-81-5

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 酰卤
• 中文名称: 2,2-双(三氟甲基)丁酰氟
• 中文别名: 2,2-二-(三氟甲基)丁酰氟化
• 英文名称: 2,2-bis(trifluoromethyl)butanoyl fluoride
• 英文别名: 2,2-bis(trifluoromethyl)butyryl fluoride；2,2-bis-trifluoromethyl-butyryl fluoride；α-Ethylhexafluoroisobuttersaeure-fluorid
• CAS: 14316-81-5
• 化学式: C₆H₅F₇O
• 分子量: 226.094
• InChiKey: JEYZHVUKERZQIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  8

安全信息

• 海关编码：
  2915900090

反应信息

• 作为反应物：
  描述：

  2,2-双(三氟甲基)丁酰氟 在 叠氮基三甲基硅烷 、 苄基三乙基氯化铵 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 为溶剂， 反应 4.0h， 生成 2-isonicotinoyl-N-(1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl)hydrazine-1-carboxamide
  参考文献：
  名称：

  1-芳酰基（1-芳基磺酰基）-4-二（三氟甲基）氨基脲烷基作为潜在的生理活性化合物

  摘要：

  1,1-双（三氟甲基）全氟异丁烯从（PFIB）获得的异氰酸烷基酯与芳酰基（芳基磺酰基）肼反应。合成了28种预期的具有生物活性的多氟化1,4-取代的氨基脲。每一个新产品的结构进行了分析和光谱法证实。利平斯基的年代和格洛瓦尼的参数，然后计算。两次调整的五个利平斯基的规则建议氟化候选药物。

  DOI：

  10.1016/j.jfluchem.2013.01.033
• 作为产物：
  描述：

  1-乙氧基-1,3,3,3-四氟-2-(三氟甲基)丙-1-烯 在 potassium hydroxide 、 三乙胺 作用下， 以 乙醚 为溶剂， 生成 2,2-双(三氟甲基)丁酰氟
  参考文献：
  名称：

  1-芳酰基（1-芳基磺酰基）-4-二（三氟甲基）氨基脲烷基作为潜在的生理活性化合物

  摘要：

  1,1-双（三氟甲基）全氟异丁烯从（PFIB）获得的异氰酸烷基酯与芳酰基（芳基磺酰基）肼反应。合成了28种预期的具有生物活性的多氟化1,4-取代的氨基脲。每一个新产品的结构进行了分析和光谱法证实。利平斯基的年代和格洛瓦尼的参数，然后计算。两次调整的五个利平斯基的规则建议氟化候选药物。

  DOI：

  10.1016/j.jfluchem.2013.01.033

文献信息

• Process for preparing hydrofluoroethers
  申请人：3M Innovative Properties Company

  公开号：US06023002A1

  公开（公告）日：2000-02-08

  Described is a reaction of a fluorinated alkoxide with an alkyl fluorovinylalkyl ether, the alkyl fluorovinylalkyl ether having alpha-beta carbon-carbon unsaturation relative to the ether oxygen, to produce a hydrofluoroether.

  描述了一种氟烷氧化物与一种含有α-β碳-碳不饱和度的烷基氟乙烯基烷醚（相对于醚氧）的烷基氟乙烯基烷醚反应，以产生一种氢氟醚。
• Synthesis and anticancer activity of N-bis(trifluoromethyl)alkyl-N′-thiazolyl and N-bis(trifluoromethyl)alkyl-N′-benzothiazolyl ureas
  作者：Elena L. Luzina、Anatoliy V. Popov

  DOI：10.1016/j.ejmech.2009.08.007

  日期：2009.12

  A number of N-bis(trifluoromethyl)alkyl-N'-thiazolyl and -benzothiazolyl ureas have been synthesized and evaluated for their in vitro antiproliferative activities against the human cancer cell lines at the National Cancer Institute (NCI, USA). The activity was shown for compounds 8a,c and 9a-c. The most sensitive cell lines relative to the tested compounds are: 8c PC-3 (prostate cancer, log GI(50) -7.10), 9c SNB-75 (CNS cancer, log GI(50) -5.84), 9b UO-31 (renal cancer, log GI(50) -5.66), and SR (leukemia, log GI(50) -5.44) human cancer cells. (C) 2009 Elsevier Masson SAS. All rights reserved.
• Synthesis of 1,1-bis(trifluoromethyl)alkyl isocyanates, carbamates, and ureas
  作者：A. V. Popov、A. N. Pushin、E. L. Luzina

  DOI：10.1007/bf02495761

  日期：2000.7

  A convenient preparative method for the synthesis of 1,1-bis(trifluoromethyl)alkyl isocyanates was proposed. The reactions of the isocyanates with alcohols, phenols, and alkyl-, aryl-. and hetarylamines were studied.
• Alkylating properties of alkyl perfluoroisobutenyl ethers
  作者：I. L. Knunyants、E. G. Abduganiev、S. T. Kocharyan、M. V. Urushadze、V. A. Livshits、Yu. E. Aronov、E. M. Rokhlin

  DOI：10.1007/bf00849327

  日期：1971.1
• Sulfonyl semicarbazides, carbonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses
  申请人：Dai Dongcheng

  公开号：US20100256096A1

  公开（公告）日：2010-10-07

  Compounds, methods and pharmaceutical compositions for treating viral infections, by administering certain novel sulfonyl semicarbazides, carbonyl semicarbazides, semicarbazides, ureas and related compounds in therapeutically effective amounts are disclosed. Methods for preparing the compounds and methods of using the compounds and pharmaceutical compositions thereof are also disclosed. In particular, the treatment and prophylaxis of viral infections such as caused by hemorrhagic fever viruses is disclosed, i.e., including but not limited to, Arenaviridae (Junin, Machupo, Guanarito, Sabia, Lassa, Tacaribe, Pinchinde, and VSV), Filoviridae (ebola and Marburg viruses), Flaviviridae (yellow fever, omsk hemorrhagic fever and Kyasanur Forest disease viruses), and Bunyaviridae (Rift Valley fever).