3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)cyclohexan-1-one | 1240490-03-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)cyclohexan-1-one
• 英文别名: 3-(3,5-Dimethyl-1h-1,2,4-triazol-1-yl)cyclo-hexan-1-one；3-(3,5-dimethyl-1,2,4-triazol-1-yl)cyclohexan-1-one
• CAS: 1240490-03-2
• 化学式: C₁₀H₁₅N₃O
• 分子量: 193.249
• InChiKey: PCLGHSZUHCYYAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  47.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-环己烯-1-酮 、 3,5-二甲基-1,2,4-三唑 在 poly(N-vinylimidazole) 作用下， 以 水 为溶剂， 反应 48.0h， 以90%的产率得到3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)cyclohexan-1-one
  参考文献：
  名称：

  Poly(N-vinylimidazole) as an efficient and recyclable catalyst of the aza-Michael reaction in water

  摘要：

  Poly(N-vinylimidazole) effectively catalyzed Michael addition of 1H-1,2,4-triazole, 3,5-dimethyl-1H-1,2,4-triazole, uracil, oxazolidin-2-one, and succinimide to but-3-en-2-one, cyclohex-2-en-1-one, methyl acrylate, and methyl vinyl sulfone in water at room temperature. The catalyst can readily be regenerated and repeatedly used at least five times without loss in activity, as shown in the reaction of 1H-1,2,4-triazole with but-3-en-2-one as an example.

  DOI：

  10.1134/s1070428010040019

文献信息

• Poly(N-vinylimidazole) as an efficient and recyclable catalyst of the aza-Michael reaction in water
  作者：I. P. Beletskaya、E. A. Tarasenko、A. R. Khokhlov、V. S. Tyurin

  DOI：10.1134/s1070428010040019

  日期：2010.4

  Poly(N-vinylimidazole) effectively catalyzed Michael addition of 1H-1,2,4-triazole, 3,5-dimethyl-1H-1,2,4-triazole, uracil, oxazolidin-2-one, and succinimide to but-3-en-2-one, cyclohex-2-en-1-one, methyl acrylate, and methyl vinyl sulfone in water at room temperature. The catalyst can readily be regenerated and repeatedly used at least five times without loss in activity, as shown in the reaction of 1H-1,2,4-triazole with but-3-en-2-one as an example.