1-(3-azido-2,2,3,3-tetrafluoropropanoyl)azepane | 1242614-42-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环庚烷
• 英文名称: 1-(3-azido-2,2,3,3-tetrafluoropropanoyl)azepane
• 英文别名: 1-(azepan-1-yl)-3-azido-2,2,3,3-tetrafluoropropan-1-one
• CAS: 1242614-42-1
• 化学式: C₉H₁₂F₄N₄O
• 分子量: 268.214
• InChiKey: ABEQLFHXZUCGMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  34.7
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1-(3-azido-2,2,3,3-tetrafluoropropanoyl)azepane 在 三苯基锑 作用下， 以 苯 为溶剂， 反应 6.0h， 生成
  参考文献：
  名称：

  Interaction of α,α-difluoroazides with trivalent phosphorus compounds and triphenylantimony

  摘要：

  alpha,alpha-Difluoroazides react with triphenylantimony and various compounds of trivalent phosphorus according to the oxidative fluorination scheme. In the case of trivalent phosphorus compound the primary products are phosphazenes, phosphazides or difluorophosphoranes that may undergo further transformations to the corresponding fluorine derivatives of pentavalent phosphorus.

  DOI：

  10.1134/s1070363210080141
• 作为产物：
  描述：

  环己亚胺 、 3-azidotetrafluoropropionic acid methyl ester 以 二氯甲烷 为溶剂， 反应 3.0h， 以70%的产率得到1-(3-azido-2,2,3,3-tetrafluoropropanoyl)azepane
  参考文献：
  名称：

  Interaction of α,α-difluoroazides with trivalent phosphorus compounds and triphenylantimony

  摘要：

  alpha,alpha-Difluoroazides react with triphenylantimony and various compounds of trivalent phosphorus according to the oxidative fluorination scheme. In the case of trivalent phosphorus compound the primary products are phosphazenes, phosphazides or difluorophosphoranes that may undergo further transformations to the corresponding fluorine derivatives of pentavalent phosphorus.

  DOI：

  10.1134/s1070363210080141

文献信息

• A novel synthesis of 1,5-disubstituted fluorinated tetrazoles from 1,1-difluoroazides
  作者：Anna G. Polivanova、Sergey V. Shkavrov、Andrei V. Churakov、Anatoly S. Lermontov、Sergey A. Lermontov

  DOI：10.1016/j.tetlet.2010.06.016

  日期：2010.8

  A new one-step reaction between 1,1-difluoroazides and primary amines is reported as an efficient synthetic approach for tetrazole formation. Examples include the syntheses of fluorine-containing 1,5-substituted tetrazoles from three fluorinated azide precursors and various amines. Greater substituent diversity in comparison with conventional methods is achieved.

  据报道，1，1-二氟叠氮化物和伯胺之间的新的一步反应是形成四唑的有效合成方法。实例包括由三种氟化叠氮化物前体和各种胺合成含氟1，5-取代的四唑。与常规方法相比，实现了更大的取代基多样性。
• Interaction of α,α-difluoroazides with trivalent phosphorus compounds and triphenylantimony
  作者：S. A. Lermontov、A. G. Polivanova、S. B. Shkavrov

  DOI：10.1134/s1070363210080141

  日期：2010.8

  alpha,alpha-Difluoroazides react with triphenylantimony and various compounds of trivalent phosphorus according to the oxidative fluorination scheme. In the case of trivalent phosphorus compound the primary products are phosphazenes, phosphazides or difluorophosphoranes that may undergo further transformations to the corresponding fluorine derivatives of pentavalent phosphorus.