4-(N-morpholinylmethyl) antipyrine | 101268-93-3

• 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-(N-morpholinylmethyl) antipyrine
• 英文别名: 1,5-dimethyl-4-morpholin-4-ylmethyl-2-phenyl-1,2-dihydro-pyrazol-3-one；1,5-Dimethyl-4-morpholinomethyl-2-phenyl-1,2-dihydro-pyrazol-3-on；2,3-Dimethyl-4-morpholinomethyl-1-phenyl-pyrazolon-(5)；2,3-Dimethyl-4-morpholinomethyl-1-phenyl-pyrazol-5-on；Cambridge id 5429202；1,5-dimethyl-4-(morpholin-4-ylmethyl)-2-phenylpyrazol-3-one
• CAS: 101268-93-3
• 化学式: C₁₆H₂₁N₃O₂
• 分子量: 287.362
• InChiKey: KNRWNGXJZKKILJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  36
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  双吗啉甲烷 、 安替比林 以 乙腈 为溶剂， 反应 24.0h， 以95%的产率得到4-(N-morpholinylmethyl) antipyrine
  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：——
• Harradence; Lions, Journal and Proceedings - Royal Society of New South Wales, 1938, vol. 72, p. 239
  作者：Harradence、Lions

  DOI：——

  日期：——
• THE COURSE OF THE MANNICH REACTION¹
  作者：S. V. LIEBERMAN、E. C. WAGNER

  DOI：10.1021/jo01158a008

  日期：1949.11
• 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.