1-[(3-methyl-3-oxetanyl)methyl]-1H-1,2,3-triazol-4-yl(piperidino)methanone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-[(3-methyl-3-oxetanyl)methyl]-1H-1,2,3-triazol-4-yl(piperidino)methanone
• 英文别名: [1-[(3-Methyloxetan-3-yl)methyl]triazol-4-yl]-piperidin-1-ylmethanone
• 化学式: C₁₃H₂₀N₄O₂
• 分子量: 264.327
• InChiKey: AOWYNSRFELGVKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  60.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(piperidin-1-yl)prop-2-yn-1-one 、 3-(azidomethyl)-3-methyloxetane 反应 0.5h， 以80%的产率得到1-[(3-methyl-3-oxetanyl)methyl]-1H-1,2,3-triazol-4-yl(piperidino)methanone
  参考文献：
  名称：

  Synthesis of C-Carbamoyl-1,2,3-triazoles by Microwave-Induced 1,3-Dipolar Cycloaddition of Organic Azides to Acetylenic Amides

  摘要：

  1,3-Dipolar cycloaddition of organic azides 1, 2, or 3 to acetylenic amides 4 or 5 under solvent-free microwave irradiation produced the corresponding N-substituted C-carbamoyl-1,2,3-triazoles 7a-12a in good to excellent yields. Under similar reaction conditions, 1,3-dipolar cycloaddition of diazide 6 and acetylenic amide 4 gave the azido-triazole 13a.

  DOI：

  10.1021/jo026398u

文献信息

• Synthesis of <i>C</i>-Carbamoyl-1,2,3-triazoles by Microwave-Induced 1,3-Dipolar Cycloaddition of Organic Azides to Acetylenic Amides
  作者：Alan R. Katritzky、Sandeep K. Singh

  DOI：10.1021/jo026398u

  日期：2002.12.1

  1,3-Dipolar cycloaddition of organic azides 1, 2, or 3 to acetylenic amides 4 or 5 under solvent-free microwave irradiation produced the corresponding N-substituted C-carbamoyl-1,2,3-triazoles 7a-12a in good to excellent yields. Under similar reaction conditions, 1,3-dipolar cycloaddition of diazide 6 and acetylenic amide 4 gave the azido-triazole 13a.