1-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]-6,7-dimethoxy-3,4-dihydroisoquinoline | 869881-10-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氢异喹啉
• 英文名称: 1-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
• CAS: 869881-10-7
• 化学式: C₂₈H₄₁NO₂
• 分子量: 423.639
• InChiKey: ICGPBKYDNUDIBG-AGRJPVHOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.64
• 重原子数：
  31.0
• 可旋转键数：
  15.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  30.82
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]-6,7-dimethoxy-3,4-dihydroisoquinoline 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以83.2%的产率得到1-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
  参考文献：
  名称：

  Synthesis of a novel class of fatty acids-derived isoquinolines

  摘要：

  Two series of novel tetrahydroisoquinoline derivatives bearing at C-1 position a carbon chain derived from fatty acids were prepared employing two complementary synthetic methodologies. The Pictet-Spengler condensation was performed on myristyl, palmityl, stearyl and oleyl aldehydes, whereas the Bischler-Napieralski cyclization used pelargonic, stearic, linolenic and arachidonic acids. The ability to apply both methods allows further labeling of the final 1-substituted-1,2,3,4-tetrahydroisoquinolines for biological studies. (c) 2005 Elsevier Ireland Ltd. All rights reserved.

  DOI：

  10.1016/j.chemphyslip.2005.02.008
• 作为产物：
  描述：

  Γ-十八碳三烯酸 在 五氯化磷 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 18.0h， 生成 1-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
  参考文献：
  名称：

  Synthesis of a novel class of fatty acids-derived isoquinolines

  摘要：

  Two series of novel tetrahydroisoquinoline derivatives bearing at C-1 position a carbon chain derived from fatty acids were prepared employing two complementary synthetic methodologies. The Pictet-Spengler condensation was performed on myristyl, palmityl, stearyl and oleyl aldehydes, whereas the Bischler-Napieralski cyclization used pelargonic, stearic, linolenic and arachidonic acids. The ability to apply both methods allows further labeling of the final 1-substituted-1,2,3,4-tetrahydroisoquinolines for biological studies. (c) 2005 Elsevier Ireland Ltd. All rights reserved.

  DOI：

  10.1016/j.chemphyslip.2005.02.008