3-(2-chloroethyl)-2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one | 58837-22-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 3-(2-chloroethyl)-2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
• 英文别名: 3-(2-chloroethyl)-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one
• CAS: 58837-22-2
• 化学式: C₁₂H₁₃ClN₂O
• 分子量: 236.701
• InChiKey: TUXBVLXGIDGWBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,2,3,4-tetrahydrobenzofuro[3,2-c]pyridine 、 3-(2-chloroethyl)-2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one 在 sodium carbonate 作用下， 以 various solvent(s) 为溶剂， 生成 3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one
  参考文献：
  名称：

  New 2-substituted 1,2,3,4-tetrahydrobenzofuro[3,2- c ]pyridine having highly active and potent central α 2 -antagonistic activity as potential antidepressants

  摘要：

  The synthesis and biological activity of a series of benzofuro[3,2-c]pyridines and a benzothieno[3,2-c]pyridine are described. These compounds exhibit high affinity for the alpha(2)-adrenoceptor, with high selectivity versus the alpha(1)-receptor. Compound 1 also shows potent in vivo central activity and has been selected for further biological and clinical evaluation. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00591-0

文献信息

• Novel 3-(1-piperidinylalkyl)-4H-pyrido[1,2-a]pyrimidin-4-one derivatives
  申请人：Janssen Pharmaceutica N.V.

  公开号：US04342870A1

  公开（公告）日：1982-08-03

  Novel 3-(1-piperidinylalkyl)-4H-pyrido[1,2-a]pyrimidin-4-one derivatives, wherein the piperidine ring is substituted with an aroyl radical or a functional derivative thereof, said compounds being potent serotonin-antagonists.

  新型3-(1-哌啶基烷基)-4H-吡啶并[1,2-a]嘧啶-4-酮衍生物，其中哌啶环被芳酰基或其官能衍生物取代，所述化合物是有效的5-羟色胺拮抗剂。
• Pyrido[1,2-a]pyrimidinone derivatives
  申请人：Sankyo Company Limited

  公开号：US03960863A1

  公开（公告）日：1976-06-01

  3-[2-(4-PHENYL-1-PIPERAZINYL)ETHYL]-4H-pyrido[1,2-a]pyrimidin-4-one derivatives have central nervous depressant and hypotensive activities and are useful as major tranquillizers. The compounds can be prepared by (a) reacting 2-methyl-3-halogeno (or arylsulfonyloxy or alkylsulfonyloxy)ethyl-4H-pyrido[1,2-a]pyrimidin-4-one derivative with 1-phenylpiperazine derivative or (b) reacting an aminopyridine with 2-[2-(4-phenyl-1-piperazinyl)ethyl]-acetoacetic acid ester.

  3-[2-(4-苯基-1-哌嗪基)乙基]-4H-吡啶[1,2-a]嘧啶-4-酮衍生物具有中枢神经抑制和降压活性，并可用作重要的镇静剂。该化合物可通过以下方法制备：(a)将2-甲基-3-卤代(或芳基磺酰氧基或烷基磺酰氧基)乙基-4H-吡啶[1,2-a]嘧啶-4-酮衍生物与1-苯基哌嗪衍生物反应，或(b)将氨基吡啶与2-[2-(4-苯基-1-哌嗪基)乙基]-乙酰乙酸酯反应。
• 3-(1-piperidinylalkyl)-4H-pyrido(1,2-a)pyrimidin-4-one derivatives
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP0037265A1

  公开（公告）日：1981-10-07

  Novel 3-(1-piperidinylalkyl)-4H-pyrido[1,2-a]pyrimidin-4- one derivatives, wherein the piperidine ring is substituted with an aroyl radical or a functional derivative thereof, said compounds being potent serotonin-antagonists.

  新型 3-(1-哌啶基烷基)-4H-吡啶并[1,2-a]嘧啶-4-1 衍生物，其中哌啶环被酰基或其官能衍生物取代，所述化合物为强效血清素拮抗剂。
• US3960863A
  申请人：——

  公开号：US3960863A

  公开（公告）日：1976-06-01
• US4342870A
  申请人：——

  公开号：US4342870A

  公开（公告）日：1982-08-03