4-piperidinomethylantipyrine | 93725-17-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-piperidinomethylantipyrine
• 英文别名: 4-(N-piperidinylmethyl) antipyrine；N-Antipyrinomethyl-piperidin；1,5-dimethyl-2-phenyl-4-piperidin-1-ylmethyl-1,2-dihydro-pyrazol-3-one；1,5-dimethyl-2-phenyl-4-piperidinomethyl-1,2-dihydro-pyrazol-3-one；1,5-Dimethyl-2-phenyl-4-piperidinomethyl-1,2-dihydro-pyrazol-3-on；1,5-Dimethyl-2-phenyl-4-(piperidin-1-ylmethyl)pyrazol-3-one
• CAS: 93725-17-8
• 化学式: C₁₇H₂₃N₃O
• 分子量: 285.389
• InChiKey: UGVKCGAEEVEXPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  26.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  二哌啶甲烷 、 安替比林 以 氯仿 为溶剂， 反应 24.0h， 以80%的产率得到4-piperidinomethylantipyrine
  参考文献：
  名称：

  Use of Methylene Chloride as a C1 Unit in N,N-Dialkylaminomethylation Reaction

  摘要：

  Mannich products have been isolated in good yields with methylene chloride as a C1 unit, instead of formaldehyde. It is evidenced that, contrary to previous understanding, a high pressure procedure is not necessary required and that the methylene bisamines function as intermediates.

  DOI：

  10.1080/00397919308009843

文献信息

• Takahashi et al., Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1959, vol. 79, p. 1163,1165, 1166
  作者：Takahashi et al.

  DOI：——

  日期：——
• Mannich; Kather, Archiv der Pharmazie, 1919, vol. 257, p. 32
  作者：Mannich、Kather

  DOI：——

  日期：——
• Kalarani; Kamalakannan; Angumeenal, Journal of the Indian Chemical Society, 2005, vol. 82, # 10, p. 892 - 897
  作者：Kalarani、Kamalakannan、Angumeenal、Venkappayya

  DOI：——

  日期：——
• Use of Methylene Chloride as a C1 Unit in N,N-Dialkylaminomethylation Reaction
  作者：Florence Souquet、Thierry Martens、Maurice-Bernard Fleury

  DOI：10.1080/00397919308009843

  日期：1993.3

  Mannich products have been isolated in good yields with methylene chloride as a C1 unit, instead of formaldehyde. It is evidenced that, contrary to previous understanding, a high pressure procedure is not necessary required and that the methylene bisamines function as intermediates.