6,7-dimethoxy-2,3,3-trimethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline | 1390658-40-8

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 6,7-dimethoxy-2,3,3-trimethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
• 英文别名: 6,7-dimethoxy-2,3,3-trimethyl-1-phenyl-1,4-dihydroisoquinoline
• CAS: 1390658-40-8
• 化学式: C₂₀H₂₅NO₂
• 分子量: 311.424
• InChiKey: MEZWTOPJJOBILF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  21.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  甲醇 、 6,7-dimethoxy-2,3,3-trimethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline 、 3-丁炔-2-酮 以60%的产率得到(3E)-4-[(2-{4,5-dimethoxy-2-[methoxy(phenyl)methyl]phenyl}-1,1-dimethylethyl)(methyl)amino]-but-3-en-2-one
  参考文献：
  名称：

  Reaction of 3,3-dimethyl- and 3-spirocyclohexyl-tetrahydroisoquinolines with alkynes*

  摘要：

  It has been found that 2,3,3-trimethyl-1-phenyl- and 1,2-dimethyl-3-spirocyclohexyltetrahydro-isoquinolines react with activated alkynes in methanol with cleavage of the tetrahydropyridine ring to give methoxybenzyl- and methoxyethylbenzenes, and in boiling acetonitrile form N-butenoyl derivatives from N-methylspirocylohexyltetrahydroisoquinoline by its reaction with acetylacetylene.

  DOI：

  10.1007/s10593-012-1014-2
• 作为产物：
  描述：

  6,7-dimethoxy-3,3-dimethyl-1-phenyl-3,4-dihydroisoquinoline 在 sodium tetrahydroborate 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 205.5h， 生成 6,7-dimethoxy-2,3,3-trimethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
  参考文献：
  名称：

  Reaction of 3,3-dimethyl- and 3-spirocyclohexyl-tetrahydroisoquinolines with alkynes*

  摘要：

  It has been found that 2,3,3-trimethyl-1-phenyl- and 1,2-dimethyl-3-spirocyclohexyltetrahydro-isoquinolines react with activated alkynes in methanol with cleavage of the tetrahydropyridine ring to give methoxybenzyl- and methoxyethylbenzenes, and in boiling acetonitrile form N-butenoyl derivatives from N-methylspirocylohexyltetrahydroisoquinoline by its reaction with acetylacetylene.

  DOI：

  10.1007/s10593-012-1014-2