2,2-difluoroethyl phenyl carbonate | 1379522-60-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,2-difluoroethyl phenyl carbonate
• 英文别名: Carbonic acid, 2,2-difluoroethyl phenyl ester
• CAS: 1379522-60-7
• 化学式: C₉H₈F₂O₃
• 分子量: 202.158
• InChiKey: ZJVUKUFQQGRGIJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (R)-4-((2-(2-methylpiperazin-1-yl)pyrimidin-5-yloxy)methyl)nicotinonitrile 、 2,2-difluoroethyl phenyl carbonate 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 18.0h， 以10%的产率得到2,2-difluoroethyl (3R)-4-{5-[(3-cyanopyridin-4-yl)methoxy]pyrimidin-2-yl}-3-methylpiperazine-1-carboxylate
  参考文献：
  名称：

  Use of Small-Molecule Crystal Structures To Address Solubility in a Novel Series of G Protein Coupled Receptor 119 Agonists: Optimization of a Lead and in Vivo Evaluation

  摘要：

  G protein coupled receptor 119 (GPR119) is viewed as an attractive target for the treatment of type 2 diabetes and other elements of the metabolic syndrome. During a program toward discovering agonists of GPR119, we herein describe optimization of an initial lead compound, 2, into a development candidate, 42. A key challenge in this program of work was the insolubility of the lead compound. Small-molecule crystallography was utilized to understand the intermolecular interactions in the solid state and resulted in a switch from an aryl sulphone to a 3-cyanopyridyl motif. The compound was shown to be effective in wild-type but not knockout animals, confirming that the biological effects were due to GPR119 agonism.

  DOI：

  10.1021/jm300310c

文献信息

• [EN] FLUORINATED DERIVATIVES OF MELDRUM'S ACID, A METHOD FOR THE PREPARATION OF THE SAME, AND THEIR USE AS A SOLVENT ADDITIVE<br/>[FR] DÉRIVÉS FLUORÉS D'ACIDE DE MELDRUM, LEUR PROCÉDÉ DE PRÉPARATION ET LEUR UTILISATION COMME ADDITIF DE SOLVANT
  申请人：SOLVAY

  公开号：WO2013079397A1

  公开（公告）日：2013-06-06

  Disclosed are certain fluorinated derivatives of Meldrum's acid as novel compounds, preparation methods for the same, their use in Li ion batteries, Li air batteries and Li sulphur batteries as well as solvent compositions, electrolyte compositions and respective batteries containing them.

  本文披露了Meldrum's酸的某些氟化衍生物作为新型化合物，以及它们的制备方法，它们在锂离子电池、锂空气电池和锂硫电池中的应用，以及包含它们的溶剂组合物、电解质组合物和相应电池。
• FLUORINATED CARBONYL COMPOUNDS COMPRISING A TRIPLE BOND, METHODS FOR THEIR MANUFACTURE AND USES THEREOF
  申请人：SOLVAY SA

  公开号：US20150191423A1

  公开（公告）日：2015-07-09

  Fluorinated carbonyl compounds comprising a triple bond were prepared and their use as solvent additives or solvents in lithium ion batteries, lithium air batteries, lithium sulphur batteries and supercapacitors is described. Preferred compounds contain at least one nitrile or at least one alkynyl group.

  含有三键的氟化羰基化合物已经制备好，并描述了它们作为溶剂添加剂或溶剂在锂离子电池、锂空气电池、锂硫电池和超级电容器中的用途。首选化合物至少含有一个腈基或至少一个炔基。
• Process for the manufacture of 1, 1'-difluorosubstituted dialkyl carbonates, isomers thereof and electrolyte compositions containing them
  申请人：SOLVAY SA

  公开号：EP2602241A1

  公开（公告）日：2013-06-12

  Fluoroalkyl alkyl carbonates which are suitable as additives or solvents in lithium ion batteries are prepared from fluoroalkyl fluoroformates and an aldehyde, preferably formaldehyde and acetaldehyde. 1,1'-difluoromethyl carbonate and 1,1'-difluorodiethylcarbonate are the preferred compounds prepared by the process of the present invention.

  本发明的工艺从氟烷酸酯和醛，特别是甲醛和乙醛制备适用于锂离子电池中的添加剂或溶剂的氟烷基烷基碳酸酯。1,1'-二氟甲基碳酸酯和1,1'-二氟二乙基碳酸酯是所制备的首选化合物。
• [EN] PROCESS FOR THE MANUFACTURE OF 1, 1'-DIFLUOROSUBSTITUTED DIALKYL CARBONATES, ISOMERS THEREOF AND ELECTROLYTE COMPOSITIONS CONTAINING THEM<br/>[FR] PROCÉDÉ POUR LA FABRICATION DE CARBONATES DE DIALKYLE 1,1'-DIFLUORO-SUBSTITUÉS ET D'ISOMÈRES DE CEUX-CI ET COMPOSITIONS D'ÉLECTROLYTE LES CONTENANT
  申请人：SOLVAY

  公开号：WO2013083418A1

  公开（公告）日：2013-06-13

  Fluoroalkyl alkyl carbonates which are suitable as additives or solvents in lithium ion batteries are prepared from fluoroalkyl fluoroformiates and an aldehyde, preferably formaldehyde and acetaldehyde. 1,1'-difluoromethyl carbonate and 1,1'-difluorodiethylcarbonate are the preferred compounds prepared by the process of the present invention.

  本发明提供了适用于锂离子电池中的添加剂或溶剂的氟烷基烷基碳酸酯，该酯是由氟烷基氟甲酸酯和醛（最好是甲醛和乙醛）制备而成。本发明制备的首选化合物为1,1'-二氟甲基碳酸酯和1,1'-二氟二乙基碳酸酯。
• Fluorinated carbonates comprising double bond-containing groups, methods for their manufacture and uses thereof
  申请人：Solvay SA

  公开号：EP2824096A1

  公开（公告）日：2015-01-14

  Fluorinated carbonates comprising double-bond containing groups were prepared and their use as solvent additives or solvents in lithium ion batteries, lithium air batteries, lithium sulphur batteries and supercapacitors is described. Preferred compounds contain at least one alkenyl or at least one (hetero)aryl group.

  本文介绍了含有双键基团的氟化碳酸酯的制备方法，以及它们作为锂离子电池、锂空气电池、锂硫电池和超级电容器中的溶剂添加剂或溶剂的用途。首选化合物至少含有一个烯丙基或至少一个（杂）芳基团。