2,2-difluoroadamantane | 51714-81-9

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氟化物
• 英文名称: 2,2-difluoroadamantane
• CAS: 51714-81-9
• 化学式: C₁₀H₁₄F₂
• 分子量: 172.218
• InChiKey: LMFDJEHVVMZWBT-UHFFFAOYSA-N

物化性质

• 熔点：
  104-105 °C
• 沸点：
  192.4±13.0 °C(Predicted)
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,2-difluoroadamantane 在 硝酸 作用下， 以 二氯甲烷 为溶剂， 生成 金刚烷酮
  参考文献：
  名称：

  Kinetic Study of the Nitrolysis of Haloadamantanes

  摘要：

  The kinetics of nitrolysis of haloadamantanes containing halogen atoms in the bridging and bridgehead positions with fuming nitric acid have been studied. The effective nitrolysis constants of eight haloadamantane derivatives have been determined. The reaction is described by pseudo-first-order kinetic equation, and the reactivity decreases as the number of halogen atoms in the substrate molecule increases. Haloadamantanes with less electronegative halogens show higher reactivity.

  DOI：

  10.1134/s1070428020090043
• 作为产物：
  描述：

  金刚烷酮 在 iodine pentafluoride 作用下， 以 正庚烷 为溶剂， 反应 12.0h， 以70%的产率得到2,2-difluoroadamantane
  参考文献：
  名称：

  五氟化碘直接氟化金刚烷

  摘要：

  金刚烷的直接氟化是通过五氟化碘实现的，并在金刚烷的叔碳上选择性地引入一个或两个氟原子。

  DOI：

  10.1055/s-2008-1067205

文献信息

• FLUORINATING AGENT
  申请人：DAIKIN INDUSTRIES, LTD.

  公开号：US20160332877A1

  公开（公告）日：2016-11-17

  An object of the present invention is to provide a novel substance that has a high reactivity as a fluorinating agent, is effectively used in various fluorination reactions, and is safely handled even in air. As the solution for achieving this object, the present invention provides a complex obtained by reacting bromine trifluoride with at least one metal halide selected from the group consisting of halogenated metals and halogenated hydrogen metals in a nonpolar solvent. This complex serves as a fluorinating agent that provides excellent fluorination performance and that is stable in air.

  本发明的一个目的是提供一种新型物质，作为氟化剂具有高反应性，在各种氟化反应中有效地使用，并且即使在空气中也可以安全处理。为了实现这一目的，本发明提供了一种通过在非极性溶剂中将三氟化溴与来自卤化金属和卤化氢金属组成的金属卤化物中至少一种反应而获得的复合物。这种复合物作为氟化剂具有出色的氟化性能，并且在空气中是稳定的。
• gem-Difluorination of 2,2-diaryl-1,3-dithiolanes by Selectfluor^®and pyridinium polyhydrogen fluoride
  作者：V. Prakash Reddy、Ramesh Alleti、Meher K. Perambuduru、Urs Welz-Biermann、Herwig Buchholz、G. K. Surya Prakash

  DOI：10.1039/b414254c

  日期：——

  2,2-diaryl-1,3-dithiolanes, readily obtainable from diaryl ketones, were transformed into the corresponding gem-difluoro compounds using a novel reagent combination involving Selectfluor and pyridinium polyhydrogen fluoride (PPHF) under mild conditions in moderate to good yields.

  可以容易地从二芳基酮获得的2，2-二芳基-1，3-二硫杂环戊烷使用新颖的SelectSelect试剂和吡啶鎓多氟化氢（PPHF）试剂在温和的条件下以中等至良好的收率转化为相应的Ge-二氟化合物。
• Synthetic methods and reactions. 46. Oxidation of organic compounds with uranium hexafluoride in haloalkane solutions
  作者：George A. Olah、John Welch

  DOI：10.1021/ja00485a024

  日期：1978.8

  Uranium hexafluoride was found to be an active, yet selective, oxidizing agent for organic compounds. It is very effective in oxidizing methyl ethers, benzylic bromides, N,N-dimethylalkylamines, hydrazenes, benzylic alcohols, and oximes to carbonyl compounds. Benzyl and benzhydryl ethers were cleaved to the parent alcohols. The intermediate oxonium ions formed in the oxidation of ethers were trapped

  六氟化铀被发现是一种活性但选择性的有机化合物氧化剂。在将甲基醚、苄基溴化物、N,N-二甲基烷基胺、肼、苄醇和肟氧化成羰基化合物方面非常有效。苄基和二苯甲基醚被裂解为母体醇。在醚的氧化中形成的中间体氧鎓离子被二硫醇捕获以产生 1,2-二硫戊环和 1,3-二噻烷。中间配合物的稳定性通过使用正丁基锂的捕获实验证明。还研究了与 UF/sub 6/ 的氟化反应。13张桌子；43 参考。
• Fluorinating agent
  申请人：DAIKIN INDUSTRIES, LTD.

  公开号：US10233080B2

  公开（公告）日：2019-03-19

  An object of the present invention is to provide a novel substance that has a high reactivity as a fluorinating agent, is effectively used in various fluorination reactions, and is safely handled even in air. As the solution for achieving this object, the present invention provides a complex obtained by reacting bromine trifluoride with at least one metal halide selected from the group consisting of halogenated metals and halogenated hydrogen metals in a nonpolar solvent. This complex serves as a fluorinating agent that provides excellent fluorination performance and that is stable in air.

  本发明的目的是提供一种新型物质，它作为氟化剂具有高反应活性，可有效地用于各种氟化反应，即使在空气中也可安全地处理。作为实现这一目标的解决方案，本发明提供了一种复合物，该复合物是由三氟化溴与至少一种金属卤化物在非极性溶剂中反应得到的，该金属卤化物选自由卤代金属和卤代氢金属组成的组。这种络合物可用作氟化剂，具有优异的氟化性能，并且在空气中稳定。
• Positive allosteric modulators of muscarinic M2 receptor
  申请人：Bayer Pharma Aktiengesellschaft

  公开号：US10435403B2

  公开（公告）日：2019-10-08

  The present application relates to positive allosteric modulators of the muscarinic M2 receptor, especially to novel 7-substituted 1-arylnaphthyridine-3-carboxamides, to processes for preparation thereof, to the use thereof, alone or in combinations, for treatment and/or prevention of diseases, and to the use thereof for production of medicaments for treatment and/or prevention of diseases, in particular for treatment and/or prevention of cardiovascular disorders and/or renal disorders.

  本申请涉及毒蕈碱 M2 受体的正性异位调节剂，特别是新型 7-取代 1-芳基萘啶-3-羧酰胺，涉及其制备工艺，涉及其单独或组合用于治疗和/或预防疾病，以及涉及其用于生产治疗和/或预防疾病的药物，特别是用于治疗和/或预防心血管疾病和/或肾脏疾病。