N-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexene-1-yl)-(4-chlorophenyl)-methyl]-acetamide | 1202749-42-5

• 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: N-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexene-1-yl)-(4-chlorophenyl)-methyl]-acetamide
• 英文别名: N-[(4-chlorophenyl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]acetamide
• CAS: 1202749-42-5
• 化学式: C₁₇H₂₀ClNO₃
• 分子量: 321.804
• InChiKey: MMQJYVSNQPUWNA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  在 水 作用下， 生成 N-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexene-1-yl)-(4-chlorophenyl)-methyl]-acetamide
  参考文献：
  名称：

  Three-Component Reaction of 5,5-Dimethylcyclohexan-1,3-dione, Aromatic Aldehydes, and Acetonitrile in the Presence of Chlorosulfonic Acid FormingN-[(2-Hydroxy-4,4-dimethyl-6-oxocyclohexene-1-yl)-aryl-methyl]-acetamides

  摘要：

  A three-component reaction between 5,5-dimethylcyclohexan-1,3-dione (dimedone), aromatic aldehydes, and acetonitrile in the presence of chlorosulfonic acid afforded N-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexene-1-yl)-aryl-methyl]-acetamides in good yields. The temperature-dependent 1H NMR of one of the products has been investigated.

  DOI：

  10.1080/00397910902898643