1-(2-thienyl)-4-cyano-5,6,7,8-tetrahydro-3(2H)-isoquinolinethione | 129340-06-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-(2-thienyl)-4-cyano-5,6,7,8-tetrahydro-3(2H)-isoquinolinethione
• 英文别名: 3-sulfanylidene-1-thiophen-2-yl-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
• CAS: 129340-06-3
• 化学式: C₁₄H₁₂N₂S₂
• 分子量: 272.395
• InChiKey: XBFJWHLLHGQRFS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  96.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(2-thienyl)-4-cyano-5,6,7,8-tetrahydro-3(2H)-isoquinolinethione 在 氢氧化钾 、 水 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 3-amino-2-(2,4-dichlorobenzoyl)-5-(2-thienyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline
  参考文献：
  名称：

  摘要：

  By condensation of 2-(2-thenoyl)-1-cyclohexanone with cyanothioacetamide a new compound of a series of chalcogen-containing isoquinolines with a thiophene fragment in its structure was prepared. It was demonstrated that alkylation of the compound with haloalkanes and their derivatives, in particular with those having electron-withdrawing substituents furnished 3-alkylthio-4-cyano-5,6,7,8-tetrahydroisoquinolines. Some of the latter underwent cyclization into 3-amino-2-R-5-(2-thienyl)-6,7,8,9-tetrahydrothieno[2,3-c]-isoquinoline.

  DOI：

  10.1023/a:1022522420258
• 作为产物：
  描述：

  环己酮 在 乙酸铵 、 溶剂黄146 、 三乙胺 作用下， 以 乙醇 、 苯 为溶剂， 反应 6.0h， 生成 1-(2-thienyl)-4-cyano-5,6,7,8-tetrahydro-3(2H)-isoquinolinethione
  参考文献：
  名称：

  Elgemeie, Galal Eldin Hamza; Regaila, Hassan Abdla; Shehata, Nadia, Journal of the Chemical Society. Perkin transactions I, 1990, # 5, p. 1267 - 1270

  摘要：

  DOI：

文献信息

• ELGEMEIE, GALAL ELDIN HAMZA;REGAILA, HASSAN ABDLA;SHEHATA, NADIA, J. CHEM. SOC. PERKIN TRANS. PT 1,(1990) N, C. 1267
  作者：ELGEMEIE, GALAL ELDIN HAMZA、REGAILA, HASSAN ABDLA、SHEHATA, NADIA

  DOI：——

  日期：——
• ——
  作者：M. O. Lozinskii、A. N. Chernega、V. V. Shelyakin

  DOI：10.1023/a:1022522420258

  日期：——

  By condensation of 2-(2-thenoyl)-1-cyclohexanone with cyanothioacetamide a new compound of a series of chalcogen-containing isoquinolines with a thiophene fragment in its structure was prepared. It was demonstrated that alkylation of the compound with haloalkanes and their derivatives, in particular with those having electron-withdrawing substituents furnished 3-alkylthio-4-cyano-5,6,7,8-tetrahydroisoquinolines. Some of the latter underwent cyclization into 3-amino-2-R-5-(2-thienyl)-6,7,8,9-tetrahydrothieno[2,3-c]-isoquinoline.
• Elgemeie, Galal Eldin Hamza; Regaila, Hassan Abdla; Shehata, Nadia, Journal of the Chemical Society. Perkin transactions I, 1990, # 5, p. 1267 - 1270
  作者：Elgemeie, Galal Eldin Hamza、Regaila, Hassan Abdla、Shehata, Nadia

  DOI：——

  日期：——