1-ethyl-3-(3-methylbut-2-en-1-yloxy)-1-ethylquinolin-2(1H)-one | 918785-17-8

• 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: 1-ethyl-3-(3-methylbut-2-en-1-yloxy)-1-ethylquinolin-2(1H)-one
• 英文别名: 1-Ethyl-3-[(3-methylbut-2-en-1-yl)oxy]quinolin-2(1H)-one；1-ethyl-3-(3-methylbut-2-enoxy)quinolin-2-one
• CAS: 918785-17-8
• 化学式: C₁₆H₁₉NO₂
• 分子量: 257.332
• InChiKey: DVBCPEJGGXDBIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-ethyl-3-(3-methylbut-2-en-1-yloxy)-1-ethylquinolin-2(1H)-one 在 碘 、 四氯化锡 作用下， 以 二氯甲烷 、 氯苯 为溶剂， 反应 6.0h， 生成 2,3-dihydro-5-ethyl-2-iodomethyl-1,1-dimethylfuro[2,3-c]quinolin-4-one
  参考文献：
  名称：

  Effect of Substitution in Stannic Chloride–Mediated Heterocyclization of 4‐Allyl‐3‐hydroxyquinolin‐2(1H)‐ones

  摘要：

  Effect of substituents at the allylic position in a stannic chloride - iodine mediated heterocyclization of 4-allyl-3-hydroxyquinolin-2(1H)- ones for the regioselective formation of five- and six-membered heterocyclic rings has been rationalized by the application of restricted Hatree - Fock calculation.

  DOI：

  10.1080/00397910600908892
• 作为产物：
  描述：

  1-乙基-3-羟基-2(1H)-喹啉酮 、 1-溴-3-甲基-2-丁烯 在 potassium carbonate 、 sodium iodide 作用下， 以 丙酮 为溶剂， 以87%的产率得到1-ethyl-3-(3-methylbut-2-en-1-yloxy)-1-ethylquinolin-2(1H)-one
  参考文献：
  名称：

  Effect of Substitution in Stannic Chloride–Mediated Heterocyclization of 4‐Allyl‐3‐hydroxyquinolin‐2(1H)‐ones

  摘要：

  Effect of substituents at the allylic position in a stannic chloride - iodine mediated heterocyclization of 4-allyl-3-hydroxyquinolin-2(1H)- ones for the regioselective formation of five- and six-membered heterocyclic rings has been rationalized by the application of restricted Hatree - Fock calculation.

  DOI：

  10.1080/00397910600908892

文献信息

• Effect of Substitution in Stannic Chloride–Mediated Heterocyclization of 4‐Allyl‐3‐hydroxyquinolin‐2(1<i>H</i>)‐ones
  作者：K. C. Majumdar、N. Kundu

  DOI：10.1080/00397910600908892

  日期：2006.10.1

  Effect of substituents at the allylic position in a stannic chloride - iodine mediated heterocyclization of 4-allyl-3-hydroxyquinolin-2(1H)- ones for the regioselective formation of five- and six-membered heterocyclic rings has been rationalized by the application of restricted Hatree - Fock calculation.