N-(furan-2-ylmethyl)-8-propyl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine | 896839-55-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃吡啶类
• 英文名称: N-(furan-2-ylmethyl)-8-propyl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
• CAS: 896839-55-7
• 化学式: C₂₁H₂₂N₄O₂
• 分子量: 362.431
• InChiKey: VYXZCWAQPFCPHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  77
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-oxo-1-propyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile 在 sodium ethanolate 、 potassium carbonate 、 三氯氧磷 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 生成 N-(furan-2-ylmethyl)-8-propyl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
  参考文献：
  名称：

  New heterocyclic systems based on 5,6,7,8-tetrahydroisoquinolines

  摘要：

  A method has been developed for the synthesis of new 8-amino-substituted 5-propyl(isobutyl)-1,2,3,4-tetra-hydropyrimido[4',5':4,5]furo[2,3-c]isoquinolines from 3-oxo derivatives of 5,6,7,8-tetra-hydroisoquinolines. Isomeric triazoles, condensed at the edge [c] of the pyrimidine ring, have been obtained from the 8-hydrazino derivatives. A Dimroth rearrangement was carried out in acidic medium.

  DOI：

  10.1007/s10593-013-1192-6

文献信息

• New heterocyclic systems based on 5,6,7,8-tetrahydroisoquinolines
  作者：S. N. Sirakanyan、V. G. Kartsev、A. A. Hovakimyan、A. S. Noravyan、A. A. Shakhatuni

  DOI：10.1007/s10593-013-1192-6

  日期：2013.2

  A method has been developed for the synthesis of new 8-amino-substituted 5-propyl(isobutyl)-1,2,3,4-tetra-hydropyrimido[4',5':4,5]furo[2,3-c]isoquinolines from 3-oxo derivatives of 5,6,7,8-tetra-hydroisoquinolines. Isomeric triazoles, condensed at the edge [c] of the pyrimidine ring, have been obtained from the 8-hydrazino derivatives. A Dimroth rearrangement was carried out in acidic medium.