1-cyanomethylidene-6,7-dimethoxy-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline | 129762-58-9

• 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: 1-cyanomethylidene-6,7-dimethoxy-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
• 英文别名: 3,3-Dimethyl-6,7-dimethoxy-1-cyanomethylidene-1,2,3,4-tetrahydroisoquinoline；2-(6,7-Dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetonitrile
• CAS: 129762-58-9
• 化学式: C₁₅H₁₈N₂O₂
• 分子量: 258.32
• InChiKey: CTCFLUQNKNIBFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  54.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  二甲基苄基原醇 、 1-cyanomethylidene-6,7-dimethoxy-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline 在 硫酸 作用下， 以 甲苯 为溶剂， 反应 0.5h， 以14%的产率得到1-(3,3-dimethyl-3,4-dihydro-1-isoquinolyl)methylidene-6,7-dimethoxy-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
  参考文献：
  名称：

  摘要：

  Symmetrical and non-symmetrical substituted bis(3,4-dihydro-1-isoquinolyl)methanes were synthesized by fusion of substituted 1-methylthio-3,4-dihydroisoquinolines with 1-methyl-3,4-dihydroisoquinolines and by the Ritter reaction of 1,1-dialkyl-2-arylethanols with 1-cyanomethylidene-1,2,3,4-tetrahydroisoquinoline or malononitrile.

  DOI：

  10.1023/a:1020917000475

文献信息

• Reactions of polyfluorocarbonyl compounds with 1,3,3-trimethyl-3,4-dihydroisoquinoline and its derivatives
  作者：V. D. Sviridov、N. D. Chkanikov、M. V. Galakhov、Yu. V. Shklyaev、V. S. Shklyaev、B. B. Aleksandrov、M. S. Gavrilov

  DOI：10.1007/bf00962396

  日期：1990.6

  1,3,3-Trimethyl-3,4-dihydroisoquinolines, which exist in the imine form, undergo C-hydroxyalkylation upon reaction with hexafluoroacetone and esters of trifluoropyruvic acid at the C1-CH3 group at 20-degrees-C. The products with the ketoesters are converted upon heating to gamma-lactams. Derivatives of 1,3,3-trimethyl-3,4-dihydroisoquinoline substituted at C1-CH3 group and existing in the enamine form, react with esters of trifluoropyruvic acid at 20-degrees-C to give exclusively gamma-lactams and do not give reaction products with hexafluoroacetone.
• ——
  作者：V. A. Glushkov、V. I. Karmanov、Yu. V. Shklyaev

  DOI：10.1023/a:1020917000475

  日期：——

  Symmetrical and non-symmetrical substituted bis(3,4-dihydro-1-isoquinolyl)methanes were synthesized by fusion of substituted 1-methylthio-3,4-dihydroisoquinolines with 1-methyl-3,4-dihydroisoquinolines and by the Ritter reaction of 1,1-dialkyl-2-arylethanols with 1-cyanomethylidene-1,2,3,4-tetrahydroisoquinoline or malononitrile.