(S)-3,3,4-trimethyl-8-methoxy-3,4-dihydrobenzo[h]isoquinolin-1(2H)-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: (S)-3,3,4-trimethyl-8-methoxy-3,4-dihydrobenzo[h]isoquinolin-1(2H)-one
• 英文别名: (4S)-8-methoxy-3,3,4-trimethyl-2,4-dihydrobenzo[h]isoquinolin-1-one
• 化学式: C₁₇H₁₉NO₂
• 分子量: 269.343
• InChiKey: YHUZHQCZMMRUND-JTQLQIEISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (S)-萘普生乙酯 在 硫酸 作用下， 以 乙醚 、 甲苯 为溶剂， 反应 2.0h， 生成 (S)-3,3,4-trimethyl-8-methoxy-3,4-dihydrobenzo[h]isoquinolin-1(2H)-one
  参考文献：
  名称：

  Synthesis of regioisomeric (S)-(+)-3,3,4-trimethyl-8-methoxy-3,4-dihydrobenzo[h]-isoquinolin-1(2H)-one and (S)-(+)-1,2,2-trimethyl-8-methoxy-1,2-dihydrobenzo[f]-isoquinolin-4(3H)-one by the Ritter reaction

  摘要：

  The conservation of chirality at the alpha-position to the carbocationic centre of (S)-(-)-2-methyl-3-(6-methoxynaphth-2-yl)butan-2-ol and the formation of regioisomeric (S)-(+)-1,2,2-trimethyl-8-methoxy-1,2-dihydrobenzo[f]isoquinolin-4(3H)-one were found in the synthesis of (S)-(+)-3,3,4-trimethyl-8-methoxy-3,4-dihydrobenzo[h]isoquinolin-1(2H)-one by the Ritter reaction.

  DOI：

  10.1070/mc2005v015n03abeh001948

文献信息

• Synthesis of regioisomeric (S)-(+)-3,3,4-trimethyl-8-methoxy-3,4-dihydrobenzo[h]-isoquinolin-1(2H)-one and (S)-(+)-1,2,2-trimethyl-8-methoxy-1,2-dihydrobenzo[f]-isoquinolin-4(3H)-one by the Ritter reaction
  作者：Yurii V. Shklyaev、Vladimir A. Glushkov、Mikhail A. El’tzov、Yuri V. Gatilov、Irina Yu. Bagryanskaya、Alexander G. Tolstikov

  DOI：10.1070/mc2005v015n03abeh001948

  日期：2005.1

  The conservation of chirality at the alpha-position to the carbocationic centre of (S)-(-)-2-methyl-3-(6-methoxynaphth-2-yl)butan-2-ol and the formation of regioisomeric (S)-(+)-1,2,2-trimethyl-8-methoxy-1,2-dihydrobenzo[f]isoquinolin-4(3H)-one were found in the synthesis of (S)-(+)-3,3,4-trimethyl-8-methoxy-3,4-dihydrobenzo[h]isoquinolin-1(2H)-one by the Ritter reaction.