2-{[7-acetyl-4-cyano-8-(furan-2-yl)-6-hydroxy-1,6-dimethyl-5,6,7,8-tetrahydroisoquinolin-3-yl]selanyl}-N-phenylacetamide | 1309791-28-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-{[7-acetyl-4-cyano-8-(furan-2-yl)-6-hydroxy-1,6-dimethyl-5,6,7,8-tetrahydroisoquinolin-3-yl]selanyl}-N-phenylacetamide
• 英文别名: 2-[7-acetyl-4-cyano-8-(fur-2-yl)-6-hydroxy-1,6-dimethyl-5,6,7,8-tetrahydroisoquinolin-3-yl-selenyl]-N-phenylacetamide；2-[[7-acetyl-4-cyano-8-(furan-2-yl)-6-hydroxy-1,6-dimethyl-7,8-dihydro-5H-isoquinolin-3-yl]selanyl]-N-phenylacetamide
• CAS: 1309791-28-3
• 化学式: C₂₆H₂₅N₃O₄Se
• 分子量: 522.462
• InChiKey: XVDDIJXDBMSQHG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.89
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  116
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  7-acetyl-8-(furan-2-yl)-6-hydroxy-1,6-dimethyl-3-selenoxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile 、 2-氯乙酰苯胺 在 potassium hydroxide 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 以67%的产率得到2-{[7-acetyl-4-cyano-8-(furan-2-yl)-6-hydroxy-1,6-dimethyl-5,6,7,8-tetrahydroisoquinolin-3-yl]selanyl}-N-phenylacetamide
  参考文献：
  名称：

  Synthesis of 7-acetyl-8-aryl(hetaryl)- 6-hydroxy-1,6-dimethyl-3-selenoxo-2,3,5,6,7,8-hexahydroiso-quinoline-4-carbonitriles by the condensation of 2,4-diacetyl-3-aryl(hetaryl)- 5-hydroxy-5-methyl-cyclohexanones with cyanoselenoacetamide

  摘要：

  7-Acetyl-8-aryl(hetaryl)-6-hydroxy-1,6-dimethyl-3-selenoxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitriles have been obtained by the condensation of 2,4-diacetyl-3-aryl(hetaryl)-5-hydroxy-5-methylcyclohexanones with cyanoselenoacetamide.

  DOI：

  10.1007/s10593-011-0693-4

文献信息

• Synthesis of 7-acetyl-8-aryl(hetaryl)- 6-hydroxy-1,6-dimethyl-3-selenoxo-2,3,5,6,7,8-hexahydroiso-quinoline-4-carbonitriles by the condensation of 2,4-diacetyl-3-aryl(hetaryl)- 5-hydroxy-5-methyl-cyclohexanones with cyanoselenoacetamide
  作者：V. D. Dyachenko、S. M. Sukach

  DOI：10.1007/s10593-011-0693-4

  日期：2011.3

  7-Acetyl-8-aryl(hetaryl)-6-hydroxy-1,6-dimethyl-3-selenoxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitriles have been obtained by the condensation of 2,4-diacetyl-3-aryl(hetaryl)-5-hydroxy-5-methylcyclohexanones with cyanoselenoacetamide.