2-(5-甲氧基)苯酚4-哌啶基甲酮盐酸盐 | 84162-88-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-(5-甲氧基)苯酚4-哌啶基甲酮盐酸盐
• 英文名称: 4-(2-hydroxy-4-methoxybenzoyl)piperidine hydrochloride
• 英文别名: (2-Hydroxy-4-methoxyphenyl)(4-piperidinyl)methanone hydrochloride；(2-hydroxy-4-methoxyphenyl)-piperidin-4-ylmethanone;hydrochloride
• CAS: 84162-88-9
• 化学式: C₁₃H₁₇NO₃*ClH
• 分子量: 271.744
• InChiKey: AFTKVIBPFXVQKY-UHFFFAOYSA-N

物化性质

• 熔点：
  264-266 °C(Solv: ethanol (64-17-5))
• 溶解度：
  甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  2.0
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  58.6
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  氯甲酸苄酯 、 2-(5-甲氧基)苯酚4-哌啶基甲酮盐酸盐 在 碳酸氢钠 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 以76%的产率得到2-(5-甲氧基)苯酚4-(N-苄氧羰基)哌啶基甲酮
  参考文献：
  名称：

  Synthesis and neuroleptic activity of 3-(1-substituted-4-piperidinyl)-1,2-benzisoxazoles

  摘要：

  The synthesis of a series of 3-(1-substituted-4-piperidinyl)-1,2-benzisoxazoles is described. The neuroleptic activity of the series was evaluated by utilizing the climbing mice assay and inhibition of [3H]spiroperidol binding. Structure-activity relationships were studied by variation of the substituent on the benzisoxazole ring with concomitant variation of four different 1-piperidinyl substituents. Maximum neuroleptic activity was realized when there was a 6-fluoro substituent on the benzisoxazole ring. The 1-piperidinyl substituent appeared less significant, although in most cases, the (1,3-dihydro-2-oxo-2H-benzimidazol-1-yl)propyl group imparted maximum potency. The most potent compound in both assays was 6-fluoro-3-[1-[3-(1,3-dihydro-2-oxo-2H-benzimidazol-1-yl) propyl]-4-piperidinyl]-1,2-benzisoxazole (11b).

  DOI：

  10.1021/jm00383a012
• 作为产物：
  描述：

  1-乙酰基哌啶-4-酰基氯 在 盐酸 、 三氯化铝 作用下， 反应 8.0h， 生成 2-(5-甲氧基)苯酚4-哌啶基甲酮盐酸盐
  参考文献：
  名称：

  Synthesis and neuroleptic activity of 3-(1-substituted-4-piperidinyl)-1,2-benzisoxazoles

  摘要：

  The synthesis of a series of 3-(1-substituted-4-piperidinyl)-1,2-benzisoxazoles is described. The neuroleptic activity of the series was evaluated by utilizing the climbing mice assay and inhibition of [3H]spiroperidol binding. Structure-activity relationships were studied by variation of the substituent on the benzisoxazole ring with concomitant variation of four different 1-piperidinyl substituents. Maximum neuroleptic activity was realized when there was a 6-fluoro substituent on the benzisoxazole ring. The 1-piperidinyl substituent appeared less significant, although in most cases, the (1,3-dihydro-2-oxo-2H-benzimidazol-1-yl)propyl group imparted maximum potency. The most potent compound in both assays was 6-fluoro-3-[1-[3-(1,3-dihydro-2-oxo-2H-benzimidazol-1-yl) propyl]-4-piperidinyl]-1,2-benzisoxazole (11b).

  DOI：

  10.1021/jm00383a012

文献信息

• 3-(4-Piperidyl)-1,2-benzisoxales
  申请人：Hoechst-Roussel Pharmaceuticals

  公开号：US04355037A1

  公开（公告）日：1982-10-19

  Novel 3-(4-piperidyl)-1,2-benzisoxazoles, intermediates and processes for the preparation thereof, and methods for alleviating pain utilizing compounds or compositions thereof are disclosed.

  公开了新颖的3-(4-哌啶基)-1,2-苯并异噁唑、其中间体及其制备方法，以及利用这些化合物或其组合物缓解疼痛的方法。
• 3-(4-Piperidyl)-1,2-benzisoxazoles
  申请人：Hoechst-Roussel Pharmaceuticals Inc.

  公开号：US04528376A1

  公开（公告）日：1985-07-09

  Novel 3-(4-piperidyl)-1,2-benzisoxazoles, intermediates and processes for the preparation thereof, and methods for alleviating pain utilizing compounds or compositions thereof are disclosed.

  本发明公开了一种Novel 3-(4-哌啶基)-1,2-苯并异噁唑，中间体及其制备方法，并公开了利用该化合物或其组合物缓解疼痛的方法。
• STRUPCZEWSKI, J. T.;ALLEN, R. C.;GARDNER, B. A.;SCHMID, B. L.;STACHE, U.;+, J. MED. CHEM., 1985, 28, N 6, 761-769
  作者：STRUPCZEWSKI, J. T.、ALLEN, R. C.、GARDNER, B. A.、SCHMID, B. L.、STACHE, U.、+

  DOI：——

  日期：——
• 3-(4-Piperidyl)-1,2-benzisoxazoles, process for the preparation thereof, and a pharmaceutical composition comprising the same
  申请人：HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED

  公开号：EP0080104B1

  公开（公告）日：1988-12-14
• US4355037A
  申请人：——

  公开号：US4355037A

  公开（公告）日：1982-10-19