4-异丙基-2-甲氧基苯甲酸 | 201151-04-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-异丙基-2-甲氧基苯甲酸
• 英文名称: 2-methoxy-4-iso-propyl benzoic acid
• 英文别名: 4-isopropyl-2-methoxybenzoic acid；2-methoxy-4-propan-2-ylbenzoic acid
• CAS: 201151-04-4
• 化学式: C₁₁H₁₄O₃
• 分子量: 194.23
• InChiKey: HALHCELYOHCVNB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-异丙基-2-甲氧基苯甲酸 在 lithium aluminium tetrahydride 作用下， 生成 2-methoxy-4-isopropyl-benzenemethanol
  参考文献：
  名称：

  Bourgeois,G.; Lalande,R., Bulletin de la Societe Chimique de France, 1972, p. 4324 - 4334

  摘要：

  DOI：
• 作为产物：
  描述：

  二氧化碳 、 3-isopropylanisole 在 正丁基锂 作用下， 以 正己烷 、 环己烷 、 乙醚 为溶剂， 反应 15.0h， 生成 4-异丙基-2-甲氧基苯甲酸
  参考文献：
  名称：

  闭环易位/断裂路线到几何定义的中环环烯烃：（+/-）-periplanone C的全合成。

  摘要：

  烯烃复分解和β片段化的组合可有效进入（Z）构型的中环环烯烃。该方法的多功能性由美洲Periplaneta的一种化学信息素Periplanone C的全合成来证明。[反应：看文字]

  DOI：

  10.1021/ol049875z

文献信息

• [EN] BENZIMIDAZOLE DERIVATIVES<br/>[FR] DERIVES BENZIMIDAZOLE
  申请人：NOVARTIS AG

  公开号：WO2005068433A1

  公开（公告）日：2005-07-28

  A compound of formula (I) or a pharmaceutically acceptable salt or prodrug ester thereof; wherein R1-R7 are as disclosed in the specification and pharmaceutical uses thereof.

  公式(I)的化合物或其药物可接受的盐或前药酯；其中R1-R7如说明书所述，及其药物用途。
• Tetrahydronaphthyridinyl-carboxamides having anti-convulsant activity
  申请人：SmithKline Beecham p.l.c.

  公开号：US06410555B1

  公开（公告）日：2002-06-25

  Compounds of formula (I) and pharmaceutically acceptable salts and solvates: where R1 is hydrogen, C1-6alkyl (optionally substituted by hydroxy or C1-4alkoxy), phenyl-C1-4alkyl-, C1-6alkenyl, C1-6alkynyl; R2 is hydrogen or, up to three substituents selected from halogen, NO2, CN, N3, CF3O—, CF3S—, CF3SO2—, CF3CO—, C1-6alkyl, C1-6alkenyl, C1-6alkynyl, C1-6perfluoroalkyl, C3-6cycloalkyl, C3-6cycloalkyl-C1-4alkyl-, C1-6alkyl, 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—, (C1-4alkyl)2NCO—, (C1-4alkyl)NHCO— or CONH2; or —NR5R6 where R5 is hydrogen or C1-4alkyl, and R6 is hydrogen, C1-4alkyl, formyl, —CO2C1-4alkyl or —COC1-4alkyl; or two R2 groups together form a carbocyclic ring that is saturated or unsaturated, optionally interrupted by O or NH; R3 groups and R4 groups are each independently hydrogen or C1-6alkyl and/or the two R3 groups and/or the two R4 groups together form a C3-6spiroalkyl group, provided that at least one R3 or R4 group is not hydrogen; and X is selected from hydrogen, halogen, cyano, alkyl and alkoxy, are useful in the treatment and prophylaxis of epilepsy, migraine, and other disorders.

  式(I)的化合物及其药学上可接受的盐和溶剂：其中R1是氢、C1-6烷基（可选择地被羟基或C1-4烷氧基取代）、苯基-C1-4烷基、C1-6烯基、C1-6炔基；R2是氢或来自卤素、NO2、CN、N3、CF3O—、CF3S—、CF3SO2—、CF3CO—、C1-6烷基、C1-6烯基、C1-6炔基、C1-6全氟烷基、C3-6环烷基、C3-6环烷基-C1-4烷基、C1-6烷基、C1-6烷基CO—、C3-6环烷基O—、C3-6环烷基CO—、C3-6环烷基-C1-4烷基O—、C3-6环烷基-C1-4烷基CO—、苯基、苯氧基、苄氧基、苯甲酰基、苯基-C1-4烷基、C1-6烷基S—、C1-6烷基SO2—、（C1-4烷基）2NSO2—、（C1-4烷基）NHSO2—、（C1-4烷基）2NCO—、（C1-4烷基）NHCO—或CONH2中选择一个；或—NR5R6，其中R5是氢或C1-4烷基，R6是氢、C1-4烷基、甲酰基、—CO2C1-4烷基或—COC1-4烷基；或两个R2基一起形成一个饱和或不饱和的碳环，可选择地被O或NH打断；R3基团和R4基团各自独立地是氢或C1-6烷基和/或两个R3基团和/或两个R4基团一起形成一个C3-6螺环烷基，前提是至少一个R3或R4基团不是氢；X从氢、卤素、氰基、烷基和烷氧基中选择，对癫痫、偏头痛和其他疾病的治疗和预防有用。
• 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。
• Anti-convulsant isoquinolyl-benzamide derivatives
  申请人：SmithKline Beecham, p.l.c.

  公开号：US06277861B1

  公开（公告）日：2001-08-21

  Compounds of formula (I) and pharmaceutically acceptable salts thereof, where R1 is hydrogen, C1-6alkyl (optionally substituted by hydroxy or C1-4alkoxy), C1-6alkenyl, C1-6alkynyl, C1-6alkylCO—, formyl, CF3CO— or C1-6alkylSO2—; R2 is hydrogen or up to three substituents selected from halogen, NO2, CN, N3, CF3O—, CF3S—, CF3CO—, trifluoromethyldiazirinyl, C 1-6?alkyl, 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—, (C1-4alkyl)2NCO—, (C1-4alkyl)NHCO— or CONH2; or —NR5R6 where R5 is hydrogen or C1-4alkyl, and R6 is hydrogen, C1-4alkyl, formyl, —CO2C1-4alkyl or —COC1-4alkyl; or two R2 groups together form a carbocyclic ring that is saturated or unsaturated and unsubstituted or substituted by —OH or ═O; and the two R3 groups and the two R4 groups are each independently hydrogen or C1-6alkyl or the two R3 groups and/or the two R4 groups together form a C3-6spiroalkyl group provided that at least one R3 and R4 group is not hydrogen, are useful in the treatment and prophylaxis of epilepsy and other disorders.

  式(I)的化合物及其药学上可接受的盐，其中R1是氢、C1-6烷基（可选择地被羟基或C1-4烷氧基取代）、C1-6烯基、C1-6炔基、C1-6烷基CO—、甲酰基、CF3CO—或C1-6烷基SO2—；R2是氢或来自卤素、NO2、CN、N3、CF3O—、CF3S—、CF3CO—、三氟甲基二氮杂环丙基、C1-6烷基、C1-6烯基、C1-6炔基、C1-6全氟烷基、C3-6环烷基、C3-6环烷基-C1-4烷基、C1-6烷基O—、C1-6烷基CO—、C3-6环烷基O—、C3-6环烷基CO—、C3-6环烷基-C1-4烷基O—、C3-6环烷基-C1-4烷基CO—、苯基、苯氧基、苄氧基、苯甲酰基、苯基-C1-4烷基、C1-6烷基硫—、C1-6烷基SO2—、（C1-4烷基）2NSO2—、（C1-4烷基）NHSO2—、（C1-4烷基）2NCO—、（C1-4烷基）NHCO—或CONH2；或—NR5R6，其中R5是氢或C1-4烷基，R6是氢、C1-4烷基、甲酰基、—CO2C1-4烷基或—COC1-4烷基；或两个R2基共同形成饱和或不饱和的碳环，未取代或被—OH或═O取代；两个R3基和两个R4基各自独立地是氢或C1-6烷基，或两个R3基和/或两个R4基共同形成C3-6螺环烷基，前提是至少一个R3基和R4基不是氢，对癫痫和其他疾病的治疗和预防具有用处。
• 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。