2-(2-(1H-1,2,3-triazol-1-yl)propan-2-yl)-5-methylcyclohexanone | 1104001-68-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-(2-(1H-1,2,3-triazol-1-yl)propan-2-yl)-5-methylcyclohexanone
• 英文别名: (5R)-5-methyl-2-[2-(triazol-1-yl)propan-2-yl]cyclohexan-1-one
• CAS: 1104001-68-4
• 化学式: C₁₂H₁₉N₃O
• 分子量: 221.302
• InChiKey: BASNOSHYZAKPOL-YHMJZVADSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 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：

  1H-1,2,3-三氮唑 、 长叶薄荷酮 反应 2.0h， 以73%的产率得到2-(2-(1H-1,2,3-triazol-1-yl)propan-2-yl)-5-methylcyclohexanone
  参考文献：
  名称：

  Regioselective Synthesis of Either 1H- or 2H-1,2,3-Triazoles via Michael Addition to a,b-Unsaturated Ketones

  摘要：

  The Michael reaction of NH-1,2,3-triazole (1) with α,β-unsaturated ketones was studied. 1H-1,2,3-triazolyl-ketones were selectively generated when 1 was combined neat with a variety of enones. The use of aprotic solvents with catalytic base gave the corresponding 2H-regioisomers. Together, these two protocols provide direct access to either the N1- or N2-substituted 1,3-triazolyl ketone regioisomers.

  DOI：

  10.3987/com-08-s(n)73

文献信息

• Regioselective Synthesis of Either 1H- or 2H-1,2,3-Triazoles via Michael Addition to a,b-Unsaturated Ketones
  作者：Jason E. Hein、Sen Wai Kwok、Valery V. Fokin、K. Barry Sharpless

  DOI：10.3987/com-08-s(n)73

  日期：——

  The Michael reaction of NH-1,2,3-triazole (1) with α,β-unsaturated ketones was studied. 1H-1,2,3-triazolyl-ketones were selectively generated when 1 was combined neat with a variety of enones. The use of aprotic solvents with catalytic base gave the corresponding 2H-regioisomers. Together, these two protocols provide direct access to either the N1- or N2-substituted 1,3-triazolyl ketone regioisomers.