N-(3,3-Dimethyl-1,2,3,4-tetrahydro-2-trifluoroacetyl-isoquinolin-7-yl)-4-methoxy-3-trifluoromethylbenzamide | 259145-75-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: N-(3,3-Dimethyl-1,2,3,4-tetrahydro-2-trifluoroacetyl-isoquinolin-7-yl)-4-methoxy-3-trifluoromethylbenzamide
• 英文别名: N-[3,3-dimethyl-2-(2,2,2-trifluoroacetyl)-1,4-dihydroisoquinolin-7-yl]-4-methoxy-3-(trifluoromethyl)benzamide
• CAS: 259145-75-0
• 化学式: C₂₂H₂₀F₆N₂O₃
• 分子量: 474.403
• InChiKey: ZKWOODNYMXYYLY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  33
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  N-(3,3-Dimethyl-1,2,3,4-tetrahydro-2-trifluoroacetyl-isoquinolin-7-yl)-4-methoxy-3-trifluoromethylbenzamide 在 potassium carbonate 作用下， 以 甲醇 、 水 为溶剂， 生成 N-(3,3-Dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-4-methoxy-3-trifluoromethylbenzamide
  参考文献：
  名称：

  Substituted isoquinoline derivatives and their use as anticonvulsivants

  摘要：

  这项发明涉及新型的取代异喹啉衍生物及其作为抗癫痫药物的用途。

  公开号：

  US06492378B1
• 作为产物：
  描述：

  7-Amino-3,3-dimethyl-1,2,3,4-tetrahydro-2-trifluoroacetyl Isoquinoline 、 4-甲氧基-3-三氟甲基氯苄 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 N-(3,3-Dimethyl-1,2,3,4-tetrahydro-2-trifluoroacetyl-isoquinolin-7-yl)-4-methoxy-3-trifluoromethylbenzamide
  参考文献：
  名称：

  Substituted isoquinoline derivatives and their use as anticonvulsivants

  摘要：

  这项发明涉及新型的取代异喹啉衍生物及其作为抗癫痫药物的用途。

  公开号：

  US06492378B1

文献信息

• SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP1104404A1

  公开（公告）日：2001-06-06
• US6492378B1
  申请人：——

  公开号：US6492378B1

  公开（公告）日：2002-12-10
• [EN] SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSIVANTS<br/>[FR] DERIVES D'ISOQUINOLINE SUBSTITUES ET LEUR UTILISATION COMME ANTIEPILEPTIQUES
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO2000009486A1

  公开（公告）日：2000-02-24

  Compound of formula (I) or salts thereof or solvates thereof: wherein: R1 is hydrogen, C¿1-6?alkyl (optionally substituted by hydroxy or C1-4alkoxy), C1-6alkenyl, C1-6alkynyl, C1-6alkylCO-, formyl, CF3CO-or C1-6alkylSO2-: R?2¿ is hydrogen or up to three substituents selected from halogen, NO¿2?, CN, N3, CF3O-, CF3S-, CF3CO-, CF3SO2, trifluoromethyldiazirinyl, C1-6alkyl, C1-6alkenyl, C1-6alkynyl, C1-6perfluoroalkyl, C3-6cycloalkyl, C3-6cycloalkyl-C1-4alkyl-, C1-6alkylO-, C1-6alkylCO-, 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-, (C1-4)2NCO-, (C1-4alkyl)NHCO- and CONH2; or -NR?5R6¿ where R5 is hydrogen or C¿1-4?alkyl, and R?6¿ is hydrogen, C¿1-4?alkyl, formyl, -CO2C1-4alkyl or -COC1-4alkyl; or two R?2¿ groups together form a carbocyclic ring that is saturated or unsaturated and unsubstituted or substituted by -OH or =O; the two R groups, the two R3 groups and the two R4 groups are each independently hydrogen, C¿1-6?alkyl, C1-6alkenyl, benzyl, or phenyl, or the two R groups and/or the two R?3¿ groups and/or the two R4 groups together form a C¿3-6?spiroalkyl group, provided that at least one R, R?3 or R4¿ group is other than hydrogen; and X is selected from the group consisting of hydrogen, halogen, cyano, CF¿3?, alkyl and alkoxy; provided that when X is hydrogen, the two R groups are not both hydrogen are indicated to be useful in the treatment and prophylaxis of epilepsy, migraine, and other disorders.
• Substituted isoquinoline derivatives and their use as anticonvulsivants
  申请人：SmithKline Beecham p.l.c.

  公开号：US06492378B1

  公开（公告）日：2002-12-10

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

  这项发明涉及新型的取代异喹啉衍生物及其作为抗癫痫药物的用途。