6',7'-dimethoxy-1'-methyl-2'H-spiro[cyclohexane-1,3'-isoquinoline] | 400063-72-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氢异喹啉
• 英文名称: 6',7'-dimethoxy-1'-methyl-2'H-spiro[cyclohexane-1,3'-isoquinoline]
• 英文别名: 6,7-dimethoxy-1-methylspiro[4H-isoquinoline-3,1'-cyclohexane]
• CAS: 400063-72-1
• 化学式: C₁₇H₂₃NO₂
• 分子量: 273.375
• InChiKey: FIRMLYMKEUTOGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  30.8
• 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'-methyl-2'H-spiro[cyclohexane-1,3'-isoquinoline] 在 sodium tetrahydroborate 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 205.5h， 生成 dimethyl (2E)-2-[1-{4,5-dimethoxy-2-[(1-methoxycyclohexyl)methyl]phenyl}ethyl(methyl)amino]-but-2-enedioate
  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：

  邻苯二甲醚 、 乙腈 、 环己烷基甲醛 生成 6',7'-dimethoxy-1'-methyl-2'H-spiro[cyclohexane-1,3'-isoquinoline]
  参考文献：
  名称：

  Reactions of 3,4-dihydroisoquinolines and dihydrothieno[3,2-c]pyridines with benzyne

  摘要：

  Cyanomethyl-substituted tetrahydroisoquinolines and tetrahydrothieno[3,2-c]pyridines were synthesized by multicomponent reaction of the dihydro analogues of aforesaid systems with benzyne and acetonitrile. The products obtained relate to alkaloids of isoquinoline family of 1,2,3,4-tetrahydro level.

  DOI：

  10.1016/j.mencom.2017.09.026

文献信息

• Reactions of 3,4-dihydroisoquinolines and dihydrothieno[3,2-c]pyridines with benzyne
  作者：Natalia I. Guranova、Alexey V. Varlamov、Valentina V. Ilyushenkova、Ekaterina A. Sokolova、Tatiana N. Borisova、Alexander V. Aksenov、Viktor N. Khrustalev、Leonid G. Voskressensky

  DOI：10.1016/j.mencom.2017.09.026

  日期：2017.9

  Cyanomethyl-substituted tetrahydroisoquinolines and tetrahydrothieno[3,2-c]pyridines were synthesized by multicomponent reaction of the dihydro analogues of aforesaid systems with benzyne and acetonitrile. The products obtained relate to alkaloids of isoquinoline family of 1,2,3,4-tetrahydro level.
• Reaction of 3,3-dimethyl- and 3-spirocyclohexyl-tetrahydroisoquinolines with alkynes*
  作者：L. G. Voskressensky、A. V. Bol’shov、T. N. Borisova、Yu. S. Rozhkova、E. A. Sorokina、A. V. Varlamov

  DOI：10.1007/s10593-012-1014-2

  日期：2012.6

  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.