(E)-2-[3,3-dimethyl-6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene]acetonitrile

• 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: (E)-2-[3,3-dimethyl-6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene]acetonitrile
• 英文别名: (e)-2-[3,3-Dimethyl-6,7-dimethoxy-3,4-dihydro-isoquinolin-1(2h)-ylidene]acetonitrile；(2E)-2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetonitrile
• 化学式: C₁₅H₁₈N₂O₂
• 分子量: 258.32
• InChiKey: CTCFLUQNKNIBFD-LFYBBSHMSA-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：

  (E)-2-[3,3-dimethyl-6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene]acetonitrile 、 三氟丙酮酸甲酯 以64%的产率得到
  参考文献：
  名称：

  SVIRIDOV, V. D.;CHKANIKOV, N. D.;GALAXOV, M. V.;SHKLYAEV, YU. V.;SHKLYAEV+, IZV. AN CCCP. CEP. XIM.,(1990) N, S. 1405-1410

  摘要：

  DOI：
• 作为产物：
  描述：

  potassium cyanide 、 1-chloromethyl-6,7-dimethoxy-3,4-dihydroisoquinoline 以 水 、 异丙醇 为溶剂， 反应 1.0h， 以73%的产率得到(E)-2-[3,3-dimethyl-6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene]acetonitrile
  参考文献：
  名称：

  Thiocarbamoylation of 1,2,3,4-tetrahydroisoquinoline enamines with phenyl isothiocyanate

  摘要：

  Reactions of 1,3,3-trimethyl-3,4-dihydroisoquinoline and its benzo[f] derivative with phenyl isothiocyanate gave the corresponding enamino thioamides. Enamino ester, enamino amides, and enamino nitriles of the 1,2,3,4-tetrahydroisoquinoline series reacted with phenyl isothiocyanate in a similar way. The resulting enamino thioamides underwent acylation with acid chlorides at the beta-carbon atom of the enamino fragment. The structure of the obtained enamino thioamides is stabilized by intramolecular H-bonding.

  DOI：

  10.1134/s1070428014090127

文献信息

• ——
  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.