2-[(Z)-2-Chloro-3,3,3-trifluoro-1-propenyl]-4-bromophenol acetate | 1133807-25-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 2-[(Z)-2-Chloro-3,3,3-trifluoro-1-propenyl]-4-bromophenol acetate
• 英文别名: [4-bromo-2-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]phenyl] acetate
• CAS: 1133807-25-6
• 化学式: C₁₁H₇BrClF₃O₂
• 分子量: 343.528
• InChiKey: UJSQNXVLEFDYIP-YHYXMXQVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-[(Z)-2-Chloro-3,3,3-trifluoro-1-propenyl]-4-bromophenol acetate 在 potassium tert-butylate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以94%的产率得到5-bromo-(2-trifluoromethyl)-1-benzofuran
  参考文献：
  名称：

  Novel Route to 2-Trifluoromethylated Benzofurans

  摘要：

  A novel route for the synthesis of a variety of 2-trifluoromethylbenzofurans is reported. By selection of solvents, the key intermediates, 2-chloro-3,3,3-trifluoropropenyl phenyl acetates, were cyclized either to give 2-trifluoromethyl-substituted benzofurans or to yield trifluoromethyl modified o-alkynylphenols. The latter intermediates could also be cyclized to give 3-iodo-2-trifluoromethyl-substituted benzofurans.

  DOI：

  10.1080/00397910802431099
• 作为产物：
  描述：

  三氯三氟乙烷 、 乙酸酐 、 5-溴水杨醛 在 锌 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以47%的产率得到2-[(Z)-2-Chloro-3,3,3-trifluoro-1-propenyl]-4-bromophenol acetate
  参考文献：
  名称：

  Novel Route to 2-Trifluoromethylated Benzofurans

  摘要：

  A novel route for the synthesis of a variety of 2-trifluoromethylbenzofurans is reported. By selection of solvents, the key intermediates, 2-chloro-3,3,3-trifluoropropenyl phenyl acetates, were cyclized either to give 2-trifluoromethyl-substituted benzofurans or to yield trifluoromethyl modified o-alkynylphenols. The latter intermediates could also be cyclized to give 3-iodo-2-trifluoromethyl-substituted benzofurans.

  DOI：

  10.1080/00397910802431099

文献信息

• [EN] SPIRO-OXADIAZOLINE COMPOUNDS AS AGONISTS OF α-7-NICOTINIC ACETYLCHOLINE RECEPTORS<br/>[FR] COMPOSÉS SPIRO-OXADIAZOLINE EN TANT QU'AGONISTES DES RÉCEPTEURS DE L'ACÉTYLCHOLINE Α-7 NICOTINIQUE
  申请人：FORUM PHARMACEUTICALS INC

  公开号：WO2015066371A1

  公开（公告）日：2015-05-07

  The present invention relates to novel spiro-oxadiazoline compounds that are suitable as agonists or partial agonists of a7-nAChR, and pharmaceutical compositions of the same, methods of preparing these compounds and compositions, and the use of these compounds and compositions in methods of maintaining, treating and/or improving cognitive function. In particular, methods of administering a spiro-oxadiazoline cx7-nAChR agonist or partial agonist, to a patient in need thereof, for example a patient with a cognitive deficiency and/or a desire to enhance cognitive function, that may derive a benefit therefrom.

  本发明涉及新型螺环-噁二唑啉化合物，适用作a7-nAChR的激动剂或部分激动剂，以及这些化合物和组合物的制备方法、药物组合物，以及在维持、治疗和/或改善认知功能的方法中使用这些化合物和组合物。具体而言，涉及向需要的患者（例如患有认知缺陷和/或希望增强认知功能的患者）施用螺环-噁二唑啉cx7-nAChR激动剂或部分激动剂的方法，以使其获益。