1-(3-chlorobenzyl)-4-ethoxycarbonylpiperazine | 59083-80-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-(3-chlorobenzyl)-4-ethoxycarbonylpiperazine
• 英文别名: 4-(3-chloro-benzyl)-piperazine-1-carboxylic acid ethyl ester；Cambridge id 5427664；ethyl 4-[(3-chlorophenyl)methyl]piperazine-1-carboxylate
• CAS: 59083-80-6
• 化学式: C₁₄H₁₉ClN₂O₂
• 分子量: 282.77
• InChiKey: AJZRLDONDJGGOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  32.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(3-chlorobenzyl)-4-ethoxycarbonylpiperazine 以79%的产率得到
  参考文献：
  名称：

  PROTIVA M.; RAJSNER M.; TRCKA V.; VANECEK M.; NEMEC J.; SEDIVY Z., COLLECT. CZECH. CHEM. COMMUNS. , 1975, 40, NO 12, 3904-3923

  摘要：

  DOI：
• 作为产物：
  描述：

  N-哌嗪甲酸乙酯 、 间氯氯苄 在 三乙胺 作用下， 以 氯仿 为溶剂， 生成 1-(3-chlorobenzyl)-4-ethoxycarbonylpiperazine
  参考文献：
  名称：

  Synthesis and Analgesic Activity of Some Side-Chain Modified Anpirtoline Derivatives

  摘要：

  New derivatives of anpirtoline and deazaanpirtoline modified in the side chain have been synthesized. The series includes compounds 3 with side-chains containing piperidine or pyrrolidine rings, compounds 4 containing 8-azabicyclo[3.2.1]octane moiety, and compounds 5 having piperazine ring in their side-chains. Their receptor binding profiles (5-HT1A, 5-HT1B) and analgesic activity (hot plate, acetic acid induced writhing) have been studied. Optimized structures (PM3-MOPAC, Alchemy 2000, Tripos Inc.) of the synthesized compounds 3-5 were compared with that of anpirtoline.

  DOI：

  10.1002/(sici)1521-4184(20005)333:5<107::aid-ardp107>3.0.co;2-y

文献信息

• Synthesis and Analgesic Activity of Some Side-Chain Modified Anpirtoline Derivatives
  作者：Stanislav Rádl、Petr Hezký、Jan Proška、Lucie Hejnová、Ivan Krejcí

  DOI：10.1002/(sici)1521-4184(20005)333:5<107::aid-ardp107>3.0.co;2-y

  日期：2000.5

  New derivatives of anpirtoline and deazaanpirtoline modified in the side chain have been synthesized. The series includes compounds 3 with side-chains containing piperidine or pyrrolidine rings, compounds 4 containing 8-azabicyclo[3.2.1]octane moiety, and compounds 5 having piperazine ring in their side-chains. Their receptor binding profiles (5-HT1A, 5-HT1B) and analgesic activity (hot plate, acetic acid induced writhing) have been studied. Optimized structures (PM3-MOPAC, Alchemy 2000, Tripos Inc.) of the synthesized compounds 3-5 were compared with that of anpirtoline.
• PROTIVA M.; RAJSNER M.; TRCKA V.; VANECEK M.; NEMEC J.; SEDIVY Z., COLLECT. CZECH. CHEM. COMMUNS. <CCCC-AK>, 1975, 40, NO 12, 3904-3923
  作者：PROTIVA M.、 RAJSNER M.、 TRCKA V.、 VANECEK M.、 NEMEC J.、 SEDIVY Z.

  DOI：——

  日期：——