5-acetyl-2-methoxy-4-isopropoxybenzoic acid | 223699-86-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-acetyl-2-methoxy-4-isopropoxybenzoic acid
• 英文别名: 5-Acetyl-2-methoxy-4-(1-methylethoxy)benzoic acid；5-acetyl-2-methoxy-4-propan-2-yloxybenzoic acid
• CAS: 223699-86-3
• 化学式: C₁₃H₁₆O₅
• 分子量: 252.267
• InChiKey: YMYVCOWMWBEIII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-acetyl-2-methoxy-4-isopropoxybenzoic acid 生成 (+/-)-5-Acetyl-N-(1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-9-yl)-2-methoxy-4-isopropoxybenzamide hydrochloride
  参考文献：
  名称：

  TRICYCLIC CARBOXAMIDES

  摘要：

  公开号：

  EP1102769B1

文献信息

• Substituted isoquinoline derivatives and their use as anticonvulsants
  申请人：SmithKline Beecham p.l.c.

  公开号：US20010025045A1

  公开（公告）日：2001-09-27

  This invention relates to substituted isoquinoline derivatives and their use as anticonvulsants.

  这项发明涉及替代异喹啉衍生物及其作为抗癫痫药物的用途。
• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSES
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO2000008020A2

  公开（公告）日：2000-02-17

  Compounds of formula (I) or salt thereof or solvate thereof, in which: m is 1 or 2; n is 1 or 2; X is CH or N; Y is selected from hydrogen, halogen, cyano, CF3, alkyl or alkoxy; R1, which may be at any position within the saturated ring system, is hydrogen or up to two substituents which may be the same or different and each of which is selected from fluoro and C¿1-6? alkyl; R?2¿ is hydrogen or up to four substituents selected from halogen, NO¿2?, CN, N3, CF3O-, CF3S-, CF3CO-, C1-6alkyl, C1-6alkenyl, C1-6alkynyl, C1-6perfluoroalkyl, C3-6cycloalkyl, C3-6cycloalkyl-C1-4alkyl-, C1-6alkylO-, C1-6-alkylCO-, C3-6cycloalkylO-, C3-6cycloalkylCO-, C3-6cycloalkyl-C1-4alkylO-, C3-6cycloalkyl-C1-4alkylCO-, phenyl, phenoxy, benzyloxy, benzoyl, phenyl-C1-4alkyl-, C1-6alkylS-, C1-6alkylSO2-, (C1-4alkyl)2NSO2-, (C1-4alkyl)NHSO2-, (C1-4alkyl)2NCO-, oxazolyl, (C1-4alkyl)NHCO-, CONH2; or R?4¿CONH- or -NR4R5, wherein R4 is hydrogen or C¿1-4? alkyl; and R?5¿ is hydrogen, C¿1-4?alkyl, formyl, -CO2C1-4alkyl or -COC1-4alkyl; or two R?2¿ groups are linked together form a carbocyclic or heterocyclic ring that is saturated or unsaturated and unsubstituted or substituted by -OH or =O are indicated to be useful in the treatment and pophylaxis of epilepsy, migraine, and other disorders.