2-(3-Methoxy-4-methylbenzyl)cyclohexanone | 187993-74-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(3-Methoxy-4-methylbenzyl)cyclohexanone
• 英文别名: 2-[(3-Methoxy-4-methylphenyl)methyl]cyclohexan-1-one
• CAS: 187993-74-4
• 化学式: C₁₅H₂₀O₂
• 分子量: 232.323
• InChiKey: YGASWNFIIXGECK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• 4,5-dipheny-oxazole derivatives and their use as platelet aggregation inhibitors
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP1213285A2

  公开（公告）日：2002-06-12

  Heterocyclic compounds of the formula:    wherein R1 is carboxy or esterified carboxy, R2 is phenyl or (C1-C6)alkylphenyl, R3 is phenyl or (C1-C6)alkylphenyl, R4 is hydrogen, (C1-C6)alkyl, hydroxy or phenyl, A1 is (C1-C6)alkylene,    in which -A4- is bond and    is cyclo (C5-C8)alkene, cyclo (C7-C8)alkane, bicycloheptane, bicycloheptene, tetrahydrofuran, tetrahydrothiophene, azetidine, pyrrolidine or piperidine, each of which may have suitable substituents,    selected from the group consisting of imino, oxo, hydroxy, (C1-C6)alkanoyl and mono (or di- or tri-)phenyl (C1-C6)alkyl, or    in which -A4- is -CH2- or -CO- and    is cyclo (C5-C8)alkene, cyclo (C7-C8)alkane, bicycloheptane, bicycloheptene and azetidine, each of which may have suitable substituents,    selected from the group consisting of imino, oxo, hydroxy, (C1-C6)alkanoyl and mono (or di- or tri-)phenyl (C1-C6)alkyl, or -A3- is -X-A6- in which ―X- is ―O-, -S- or ―N(-R5)- (in which R5 is hydrogen, (C1-C6)alkyl or acyl) and A6 is (C1-C6)alkylene which may have suitable substituent(s) selected from the group consisting of (C1-C6)alkyl and hydroxy(C1-C6)alkyl, or    in which ―A4- is -CH2- or ―CO- and    is tetrahydrofuran, tetrahydrothiophene, pyrrolidine or piperidine, each of which may have suitable substituents,    selected from the group consisting of imino, oxo, hydroxy, (C1-C6)alkanoyl and mono (or di- or tri-)phenyl (C1-C6)alkyl, or -A3- is -X-A6- in which ―X- is ―O-, -S- or ―N(-R5)- (in which R5 is hydrogen, (C1-C6)alkyl or acyl) and A6 is (C1-C6)alkylene which may have suitable substituent(s) selected from the group consisting of (C1-C6)alkyl and hydroxy(C1-C6)alkyl, and n is 0 or 1, and a pharmaceutically acceptable salt thereof, which are useful as a medicament.

  式中的杂环化合物： 其中 R1 是羧基或酯化羧基、 R2 是苯基或(C1-C6)烷基苯基 R3 是苯基或(C1-C6)烷基苯基 R4 是氢、(C1-C6)烷基、羟基或苯基、 A1 是（C1-C6）亚烷基、 其中 -A4- 是键和 是环(C5-C8)烯烃、环(C7-C8)烷烃、双环庚烷、双环庚烯、四氢呋喃、四氢噻吩、氮杂环丁烷、吡咯烷或哌啶，其中每种环(C5-C8)烯烃可带有合适的取代基、 选自由亚氨基、氧代、羟基、（C1-C6）烷酰基和单（或二或三）苯基（C1-C6）烷基组成的组，或 其中 -A4- 是 -CH2- 或 -CO- 且 是环(C5-C8)烯、环(C7-C8)烷、双环庚烷、双环庚烯和氮杂环丁烷，其中每个环(C5-C8)烯、环(C7-C8)烷、双环庚烷和氮杂环丁烷可具有适当的取代基、 选自由亚氨基、氧代、羟基、(C1-C6)烷酰基和单(或二或三)苯基 (C1-C6)烷基组成的组、 或-A3-是-X-A6-，其中-X-是-O-、-S-或-N(-R5)-（其中 R5 是氢、(C1-C6)烷基或酰基），A6 是(C1-C6)亚烷基，可具有选自(C1-C6)烷基和羟基(C1-C6)烷基组成的组的适当取代基，或 其中 -A4- 是 - - 或 -CO- 且 是四氢呋喃、四氢噻吩、吡咯烷或哌啶，其中每个都可以有合适的取代基、 选自亚氨基、氧代、羟基、(C1-C6)烷酰基和单(或二或三)苯基(C1-C6)烷基组成的组、 或-A3-是-X-A6-，其中-X-是-O-、-S-或-N(-R5)-（其中 R5 是氢、(C1-C6)烷基或酰基），A6 是(C1-C6)亚烷基，可具有选自(C1-C6)烷基和羟基(C1-C6)烷基组成的组的适当取代基、 和 n 为 0 或 1、 及其药学上可接受的盐、 可用作药物。
• 4,5-DIARYL OXAZOLE DERIVATIVES
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0842161A1

  公开（公告）日：1998-05-20
• OXAZOLE COMPOUNDS USEFUL AS PGE2 AGONISTS AND ANTAGONISTS
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0989975A1

  公开（公告）日：2000-04-05
• US5972965A
  申请人：——

  公开号：US5972965A

  公开（公告）日：1999-10-26
• US6245790B1
  申请人：——

  公开号：US6245790B1

  公开（公告）日：2001-06-12