6-acetoxy-1-methyl-1-trifluoromethylisochroman | 225526-54-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 6-acetoxy-1-methyl-1-trifluoromethylisochroman
• 英文别名: [1-methyl-1-(trifluoromethyl)-3,4-dihydroisochromen-6-yl] acetate
• CAS: 225526-54-5
• 化学式: C₁₃H₁₃F₃O₃
• 分子量: 274.24
• InChiKey: AEKVTYPHESXBID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  6-acetoxy-1-methyl-1-trifluoromethylisochroman 以45的产率得到(1R)-6-acetoxy-1-methyl-1-trifluoromethylisochroman
  参考文献：
  名称：

  Bioorg. Med. Chem. 2008, 16, 7193-7205

  摘要：

  DOI：
• 作为产物：
  描述：

  6-hydroxy-1-methyl-1-trifluoromethylisochroman 以89的产率得到6-acetoxy-1-methyl-1-trifluoromethylisochroman
  参考文献：
  名称：

  Bioorg. Med. Chem. 2008, 16, 7193-7205

  摘要：

  DOI：

文献信息

• Piperidinylaminomethyl trifluoromethyl cyclic ether compounds as substance P antagonists
  申请人：Pfizer Inc.

  公开号：US20030208079A1

  公开（公告）日：2003-11-06

  This invention provides a compound of the formula: 1 and its pharmaceutically acceptable salts, wherein R 1 is C 1 -C 6 alkyl; R 2 is hydrogen, C 1 -C 6 alkyl, halo C 1 -C 6 alkyl or phenyl; R 3 is hydrogen or halo; R 4 and R 5 are independently hydrogen, C 1 -C 6 alkyl or halo C 1 -C 6 alkyl; and n is one, two or three. These compounds are useful as analgesics or anti-inflammatory agents, or in the treatment of cardiovascular diseases, allergic disorders, angiogenesis, CNS disorders, emesis, gastrointestinal disorders, sunburn, urinary incontinence, or diseases, disorders or adverse conditions caused by Helicobacter pylori, or the like, in a mammalian subject, especially humans. Intermediates for preparation of the compounds of Formula (I) are also disclosed.

  这项发明提供了以下化合物及其药用可接受的盐： 1 其中R 1 为C 1 -C 6 烷基；R 2 为氢、C 1 -C 6 烷基、卤代C 1 -C 6 烷基或苯基；R 3 为氢或卤素；R 4 和R 5 独立地为氢、C 1 -C 6 烷基或卤代C 1 -C 6 烷基；n为一、二或三。 这些化合物可用作镇痛剂或抗炎药，或用于治疗心血管疾病、过敏性疾病、血管生成、中枢神经系统疾病、呕吐、胃肠道疾病、晒伤、尿失禁，或由幽门螺杆菌等引起的疾病、疾病或不良状况，尤其是在哺乳动物主体，特别是人类中。还公开了制备式(I)化合物的中间体。
• Process for preparing microencapsulated pigment, microencapsulated pigment, aqueous dispersion, and ink for ink jet recording
  申请人：Miyabayashi Toshiyuki

  公开号：US20050075416A1

  公开（公告）日：2005-04-07

  The present invention relates to a process for preparing a microencapsulated pigment, which comprises adding a polymerizable surfactant having a hydrophilic group, a hydrophobic group and a polymerizable group, a polymerization initiator and an aqueous medium to a wet pigment, and conducting emulsion polymerization to encapsulate pigment particles with a polymer. Also disclosed are a microencapsulated pigment obtained by using this preparation process and an ink for ink jet recording containing at least the microencapsulated pigment and water.

  本发明涉及一种制备微胶囊化颜料的方法，包括向潮湿的颜料中添加具有亲水基团、疏水基团和可聚合基团的可聚合表面活性剂、聚合引发剂和水介质，并进行乳液聚合以将颜料粒子封装在聚合物中。本发明还公开了使用该制备方法获得的微胶囊化颜料和至少包含微胶囊化颜料和水的喷墨记录墨水。
• 1-trifluoromethyl-4-hydroxy-7-piperidinyl-aminomethylchroman derivatives
  申请人：Pfizer INC

  公开号：US06239147B1

  公开（公告）日：2001-05-29

  This invention relates to novel 1-trifluoromethyl-4-hydroxy-7-piperidinylaminomethylchroman derivatives of the formula wherein R1 is C1-C6 alkyl; R2 is hydrogen, C1-C6 alkyl, halo C1-C6 alkyl or phenyl; R3 is hydrogen or halo; and R4 and R5 are independently hydrogen, C1-C6 alkyl or halo C1-C6 alkyl, their pharmaceutically acceptable salts, pharmaceutical compositions containing such compounds, and the use of such compounds to treat CNS, gastrointestinal and other disorders.

  本发明涉及一种新型的1-三氟甲基-4-羟基-7-哌啶基氨甲基色素衍生物，其化学式为：其中，R1为C1-C6烷基；R2为氢、C1-C6烷基、卤代C1-C6烷基或苯基；R3为氢或卤素；R4和R5独立地为氢、C1-C6烷基或卤代C1-C6烷基，其药学上可接受的盐、含有这种化合物的制药组合物以及使用这种化合物治疗中枢神经系统、胃肠道和其他疾病。
• Discovery and stereoselective synthesis of the novel isochroman neurokinin-1 receptor antagonist ‘CJ-17,493’
  作者：Yuji Shishido、Hiroaki Wakabayashi、Hiroki Koike、Naomi Ueno、Seiji Nukui、Tatsuya Yamagishi、Yoshinori Murata、Fumiharu Naganeo、Mayumi Mizutani、Kaoru Shimada、Yoshiko Fujiwara、Ayano Sakakibara、Osamu Suga、Rinko Kusano、Satoko Ueda、Yoshihito Kanai、Megumi Tsuchiya、Kunio Satake

  DOI：10.1016/j.bmc.2008.06.047

  日期：2008.8

  A novel central nervous system (CNS) selective neurokinin-1 (NK1) receptor antagonist, (2S, 3S)-3-[(1R)-6-methoxy- 1-methyl-1-trifluoromethylisochroman-7-yl]-methylamino-2-phenylpiperidine 'CJ-17,493'( compound (+)-1), was synthesized stereoselectively using a kinetic resolution by lipase-PS as a key step. Compound (+)-1 displayed high and selective affinity (K-i = 0.2 nM) for the human NK1 receptor in IM-9 cells, potent activity in the [Sar(9), Met(O-2)(11)] SP-induced gerbil tapping model (ED50 = 0.04 mg/kg, sc) and in the ferret cisplatin (10 mg/kg, ip)-induced anti-emetic activity model (vomiting: ED90 = 0.07 mg/kg, sc), all levels of activity comparable with those of CP-122,721. In addition, compound (+)-1 exhibited linear pharmacokinetics rather than the super dose-proportionality of CP-122,721 and this result provides a potential solution for the clinical issue observed with CP-122,721. (C) 2008 Elsevier Ltd. All rights reserved.
• PIPERIDINYLAMINOMETHYL TRIFLUOROMETHYL CYCLIC ETHER COMPOUNDS AS SUBSTANCE P ANTAGONISTS
  申请人：PFIZER INC.

  公开号：EP1032571A1

  公开（公告）日：2000-09-06