3,3-difluoro-pentan-2-one | 679-83-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,3-difluoro-pentan-2-one
• 英文别名: 3.3-Difluor-pentanon-2；3,3-Difluoro-2-pentanone；3,3-difluoropentan-2-one
• CAS: 679-83-4
• 化学式: C₅H₈F₂O
• 分子量: 122.115
• InChiKey: UWOFGIXNNCPENM-UHFFFAOYSA-N

物化性质

• 沸点：
  96.6±25.0 °C(Predicted)
• 密度：
  1.024±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-Ethyl-3-fluoro-2-methyl-oxirane-2-carbonitrile 在 ammonium hydroxide 、 三氟化硼乙醚 、 氢氟酸 、 silver nitrate 作用下， 生成 3,3-difluoro-pentan-2-one
  参考文献：
  名称：

  Fluoroepoxydes (III) : utilisation pour une methode generale de preparation des difluorures α fonctionnels

  摘要：

  DOI：

  10.1016/s0040-4039(01)98451-5

文献信息

• Nucleophilic Di- and Tetrafluorination of Dicarbonyl Compounds
  作者：Rajendra P. Singh、Utpal Majumder、Jean'ne M. Shreeve

  DOI：10.1021/jo0157674

  日期：2001.9.1

  Reactions of various diketo compounds with Deoxofluor [(CH3OCH2CH2)(2)NSF3] have been investigated. When reacted with Deoxofluor, a-diketones, R1COCOR2 (R-1 = R-2 = Ph; R-1 = R-2 = 4-Me-C6H4; R-1 = Ph, R-2 = Me; R-1 = Me, R-2 = Et) (1a-d) formed difluoro derivatives (2a-d) in the presence of a catalytic amount of HF and/or tetrafluoro (3a-d) products depending on the reaction conditions and stoichiometry used. Reactions of beta -diketones, R3COCH2COR4 (R-3 = R-4 = Ph; R-3 = R-4 = Me; R-3 = Me, R-4 = Ph) (4e-g), with Deoxofluor in the presence of a catalytic amount of HF led to the formation of difluoroalkenones as a mixture of E (5e-g) and Z (6e-g) isomers in good yield. Reaction of other diones, R5CO-X-COR6 (R-5 = R-6 = Ph, X =-CH=CH-; R-5 = R-6 = Me, X = -C6H4C6H4-; R-5 = R-6 = Ph, X = -CH2CH2CH2-; R-5 = R-6 = Me, X = -CH2CH2-) (7h-k) with Deoxofluor produced mainly difluoro products (8h-k) with low yields of tertrafluoro derivatives (9h-k). Acyclic alpha -keto amides react poorly to give the corresponding difluoro derivatives, whereas cyclic (alpha -keto amides (101-p) react smoothly under very mild conditions to produce the corresponding difluoro products (111-p) in > 88% isolated yield.
• Fluoroepoxydes (III) : utilisation pour une methode generale de preparation des difluorures α fonctionnels
  作者：Jean Cantacuzène、Jacques Leroy

  DOI：10.1016/s0040-4039(01)98451-5

  日期：1970.1