Methyl 4,4,5,5,6,6,7,7,7-nonafluoro-3-oxoheptanoate | 89129-70-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: Methyl 4,4,5,5,6,6,7,7,7-nonafluoro-3-oxoheptanoate
• CAS: 89129-70-4
• 化学式: C₈H₅F₉O₃
• 分子量: 320.112
• InChiKey: DYOGLAIQTPPUBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  Methyl 4,4,5,5,6,6,7,7,7-nonafluoro-3-oxoheptanoate 在 tetraphosphorus decasulfide 、 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 25.0h， 以25%的产率得到5-Nonafluorobutyl-[1,2]dithiole-3-thione
  参考文献：
  名称：

  Pashkevich, K. I.; Saloutin, V. I.; Bobrov, M. B., Journal of Organic Chemistry USSR (English Translation), 1988, vol. 24, # 11, p. 2162 - 2166

  摘要：

  DOI：
• 作为产物：
  描述：

  (Z)-4,4,5,5,6,6,7,7,7-Nonafluoro-3-hydroxy-hept-2-enoic acid methyl ester 生成 Methyl 4,4,5,5,6,6,7,7,7-nonafluoro-3-oxoheptanoate
  参考文献：
  名称：

  RUDAYA M. N.; SALOUTIN V. I.; FOMIN A. N.; PASHKEVICH K. I., IZV. AN CCCP. CEP. XIM.,(1987) N 6, 1412-1415

  摘要：

  DOI：

文献信息

• Reactions of fluorine-containing 3-oxo esters with aldehydes
  作者：M.V. Pryadeina、O.G. Kuzueva、Ya.V. Burgart、V.I. Saloutin、K.A. Lyssenko、M.Yu. Antipin

  DOI：10.1016/s0022-1139(02)00149-5

  日期：2002.9

  Fluoroalkylcontaining 3-oxo esters react with aldehydes to form 2-benzylidene-3-fluoroacyl-esters or 4-aryl(alkyl)-3,5-dialkoxycarbonyl-2,6-dihydroxy-2,6-di(fluoroalkyl)tetrahydropyranes depending on the conditions. Ethyl pentafluorobenzoylacetoacetate with benzaldehyde affords 3,5-diethoxy-carbonyl-4-phenyl-2-pentafluorophenyl-7,8,9,10-tetrafluoro-4,5-dihydrobenzo[b]oxacin-6-one.

  含氟烷基的3-氧代酯与醛反应形成2-亚苄基-3-氟代酰基酯或4-芳基（烷基）-3,5-二烷氧基羰基-2,6-二羟基-2,6-二（氟代烷基）四氢吡喃，取决于条件。五氟苯甲酰基乙酰乙酸乙酯与苯甲醛得到3,5-二乙氧基-羰基-4-苯基-2-五氟苯基-7,8,9,10-四氟-4,5-二氢苯并[ b ]恶沙星6-1。
• Alkyl 3-fluoroalkyl-3-oxopropionates in reactions with azolyldiazonium salts
  作者：E. V. Shchegol’kov、E. V. Sadchikova、Ya. V. Burgart、V. I. Saloutin

  DOI：10.1007/s11172-008-0096-6

  日期：2008.3

  Alkyl 3-fluoroalkyl-3-oxopropionates react with antipyrinyldiazonium chloride to form 2-antipyrinylhydrazono-3-fluoroalkyl-3-oxopropionates. The use in these reactions of hetaryldiazonium salts, containing NH group in the α position, leads to alkyl 7-fluoroalkyl-7-hydroxy-4,7- dihydroazolo[5,1-c]triazine-6-carboxylates. 3-Amino-1H-1,2,4-triazole, 3-amino-4-ethoxycar- bonyl-1H-pyrazole, and 5-amino-4-ethoxycarbonyl-1H-imidazole were used as the heterocyclic component.

  3- 氟烷基-3-氧代丙酸烷基酯与抗吡啶基氯化偶氮鎓发生反应，生成 2-抗吡啶基肼基-3-氟烷基-3-氧代丙酸烷基酯。在这些反应中使用在 α 位含有 NH 基团的 hetaryldiazonium 盐，可生成 7-氟烷基-7-羟基-4,7-二氢唑并[5,1-c]三嗪-6-羧酸烷基酯。3- 氨基-1H-1,2,4-三唑、3-氨基-4-乙氧羰基-1H-吡唑和 5-氨基-4-乙氧羰基-1H-咪唑被用作杂环成分。
• A Convenient Approach to 4,7-Dihydrotetrazolo [5,1-<b><i>c</i></b>][1,2,4]triazine Synthesis
  作者：Evgeny V. Shchegol'kov、Anna E. Ivanova、Yanina V. Burgart、Viktor I. Saloutin

  DOI：10.1002/jhet.1068

  日期：2013.2

  convenient one-step procedure for the synthesis of 4,7-dihydrotetrazolo[5,1-c][1,2,4]triazines. In contrast to nonfluorinated analogs, 7-hydroxy-7-polyfluoroalkyl-4,7-dihydrotetrazolo[5,1-c][1,2,4]triazines undergo a ring-chain isomerism resulting from the cleavage at the C7―N7a bond. A distinctive feature of nonfluorinated 4,7-dihydrotetrazolo[5,1-c][1,2,4]triazines is the possibility to dehydration,

  1,3-二羰基化合物与氯化四唑基-5重氮偶氮偶合用于开发方便的一步法合成4,7-二氢四唑[5,1- c ] [1,2,4]三嗪。与非氟化类似物相反，7-羟基-7-聚氟烷基-4,7-二氢四唑[5,1- c ] [1,2,4]三嗪经历了由C7-N7a键断裂导致的环链异构现象。非氟化4,7-二氢四唑[5,1- c ] [1,2,4]三嗪的一个显着特征是可能脱水，这是由于四唑环断裂并形成四唑而导致叠氮化物重排。 1,5- b ] [1,2,4]三嗪。
• Reactions of fluoroalkyl-?-ketoesters with ammonia
  作者：K. I. Pashkevich、V. I. Saloutin、A. N. Fomin、M. N. Rudaya、L. G. Egorova

  DOI：10.1007/bf00954820

  日期：1986.7
• Synthesis, structure, and complexing ability of fluoroalkyl-containing 2,2′-(biphenyl-4,4′-diyldihydrazono)bis(1,3-dicarbonyl) compounds
  作者：I. V. Shchur、O. G. Khudina、Ya. V. Burgart、V. I. Saloutin、M. A. Grishina、V. A. Potemkin

  DOI：10.1134/s107042800712007x

  日期：2007.12

  New fluoroalkyl-containing 2,2'-(biphenyl-4,4'-diyldihydrazono)bis(1,3-diketones) and 2,2'-(biphenyl-4,4'-diyldihydrazono)bis(3-oxopropionates) were synthesized by azo coupling of the corresponding 1,3-dicarbonyl compounds with biphenyl-4,4'-bis(diazonium) dichloride. Complexing ability of the obtained bis-hydrazones was studied, and new coordination compounds of the general formula M2L2 [where M = Ni(II), Cu(II); L = fluoroalkyl-containing 2,2'-(biphenyl-4,4'-diyldihydrazono)bis(1,3-diketone)] were obtained.