6-chloro-5,5,6,6-tetrafluoro-2,2-dimethylhexan-3-one | 121907-82-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-chloro-5,5,6,6-tetrafluoro-2,2-dimethylhexan-3-one
• CAS: 121907-82-2
• 化学式: C₈H₁₁ClF₄O
• 分子量: 234.621
• InChiKey: UQGKMRMDWRXNML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.46
• 重原子数：
  14.0
• 可旋转键数：
  3.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  6-chloro-5,5,6,6-tetrafluoro-2,2-dimethylhexan-3-one 、 苯胺 在 三乙胺 作用下， 以 乙腈 为溶剂， 生成 (Z)-6-Chloro-6,6-difluoro-2,2-dimethyl-5-phenylamino-hex-4-en-3-one
  参考文献：
  名称：

  A convenient three-component reaction for the construction of multifunctional 6-fluoroalkyl-1,2,3,4-tetrahydropyrimidines

  摘要：

  beta-Fluoroalkylenaminoketones were prepared and their reaction with primary amines and formaldehyde were studied. Multifunctional 6-fluoroatkyl-1,2,3,4-tetrahydropyrimidines were synthesized conveniently from the three-component reaction in good yields under mild conditions. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2005.08.015
• 作为产物：
  描述：

  1-氯-2-碘四氟乙烷, 、 (1-叔丁基乙烯氧基)三甲基硅烷 在 sodium dithionite 、 碳酸氢钠 作用下， 以 乙腈 为溶剂， 生成 6-chloro-5,5,6,6-tetrafluoro-2,2-dimethylhexan-3-one
  参考文献：
  名称：

  A convenient three-component reaction for the construction of multifunctional 6-fluoroalkyl-1,2,3,4-tetrahydropyrimidines

  摘要：

  beta-Fluoroalkylenaminoketones were prepared and their reaction with primary amines and formaldehyde were studied. Multifunctional 6-fluoroatkyl-1,2,3,4-tetrahydropyrimidines were synthesized conveniently from the three-component reaction in good yields under mild conditions. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2005.08.015