6',7'-dimethoxy-1',2'-dimethyl-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline] | 1390658-42-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 6',7'-dimethoxy-1',2'-dimethyl-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]
• 英文别名: 6',7'-Dimethoxy-1',2'-dimethyl-1',4'-dihydro-2'h-spiro-[cyclohexan-1,3'-isoquinoline]；6,7-dimethoxy-1,2-dimethylspiro[1,4-dihydroisoquinoline-3,1'-cyclohexane]
• CAS: 1390658-42-0
• 化学式: C₁₈H₂₇NO₂
• 分子量: 289.418
• InChiKey: NDVAVDOUGROTJI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 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：

  6',7'-dimethoxy-1',2'-dimethyl-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline] 、 3-丁炔-2-酮 以 乙腈 为溶剂， 反应 48.0h， 以36%的产率得到(3E)-4-(6',7'-dimethoxy-1'-methyl-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinolin]-2'-yl)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：

  在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 13.5h， 生成 6',7'-dimethoxy-1',2'-dimethyl-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]
  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