6,7-Dichloro-3-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one | 1210820-62-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 6,7-Dichloro-3-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one
• 英文别名: 6,7-dichloro-3-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one
• CAS: 1210820-62-4
• 化学式: C₁₄H₁₄Cl₂N₄O
• 分子量: 325.197
• InChiKey: CBHFCBPPCUXYAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  51
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  在 三乙胺 作用下， 以 甲醇 为溶剂， 反应 0.5h， 生成 6,7-dichloro-1-methylquinoline-2(1H)-one 、 、 6,7-Dichloro-3-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one 、 3,5-二甲基-1,2,4-三唑
  参考文献：
  名称：

  Substituent Effects on the Electron Transfer-Initiated Photochemical Transformation of 1,2,4-Triazole-Substituted α-Dehydroarylalaninamides into 2(1H)-Quinolinone Derivatives

  摘要：

  An investigation was undertaken to elucidate substituent effects on the photoreactivity of 1,2,4-triazole-substituted alpha-dehydroarylalaninamides [(Z)-1] as well as on the selectivity of 2(1H)-quinolinone derivatives (2) from a synthetic point of view. It was found that photoinduced electron transfer-initiated cyclization of (Z)-1 bearing a meta-substituted phenyl or a 4-substituted naphthalen-1-yl group in methanol proceeds with a moderate to good efficiency affording the corresponding product 2 in a selectivity ranging from 33 to 100%.

  DOI：

  10.3987/com-09-s(s)55

文献信息

• Substituent Effects on the Electron Transfer-Initiated Photochemical Transformation of 1,2,4-Triazole-Substituted α-Dehydroarylalaninamides into 2(1H)-Quinolinone Derivatives
  作者：Tadamitsu Sakurai、Yuichi Yazawa、Minoru Suzuki、Tetsutaro Igarashi

  DOI：10.3987/com-09-s(s)55

  日期：——

  An investigation was undertaken to elucidate substituent effects on the photoreactivity of 1,2,4-triazole-substituted alpha-dehydroarylalaninamides [(Z)-1] as well as on the selectivity of 2(1H)-quinolinone derivatives (2) from a synthetic point of view. It was found that photoinduced electron transfer-initiated cyclization of (Z)-1 bearing a meta-substituted phenyl or a 4-substituted naphthalen-1-yl group in methanol proceeds with a moderate to good efficiency affording the corresponding product 2 in a selectivity ranging from 33 to 100%.