allyl 3-methyl-2,4a,5,6,7,8-hexahydrocinnoline-4-carboxylate | 1242030-44-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 乙烯基酰胺
• 英文名称: allyl 3-methyl-2,4a,5,6,7,8-hexahydrocinnoline-4-carboxylate
• CAS: 1242030-44-9
• 化学式: C₁₃H₁₈N₂O₂
• 分子量: 234.298
• InChiKey: KMSZTOQACQADJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.14
• 重原子数：
  17.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  50.69
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  allyl 3-methyl-2,4a,5,6,7,8-hexahydrocinnoline-4-carboxylate 在 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 二氯甲烷 为溶剂， 以94%的产率得到allyl 3-methyl-5,6,7,8-tetrahydrocinnoline-4-carboxylate
  参考文献：
  名称：

  Divergent base-induced reactivity of cycloalkenyl-1-diazenes

  摘要：

  The different base-promoted regioselectivities of the ring closure processes in the reactions between cycloalkenyl-1-diazenes and beta-ketoesters are investigated. Under the appropriate conditions it is possible to turn the synthesis towards cycloalkenyliden-pyrroles or functionalized 3-hydroxy-hydrocinnolines. The aromatization procedure of the heteroring counterpart of the 3-hydroxy-hydrocinnolines is also reported. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.06.061
• 作为产物：
  描述：

  allyl 2-(anilinocarbonyl)-3-methyl-2,4a,5,6,7,8-hexahydrocinnoline-4-carboxylate 在 甲醇 、 potassium carbonate 作用下， 以68%的产率得到allyl 3-methyl-2,4a,5,6,7,8-hexahydrocinnoline-4-carboxylate
  参考文献：
  名称：

  Divergent base-induced reactivity of cycloalkenyl-1-diazenes

  摘要：

  The different base-promoted regioselectivities of the ring closure processes in the reactions between cycloalkenyl-1-diazenes and beta-ketoesters are investigated. Under the appropriate conditions it is possible to turn the synthesis towards cycloalkenyliden-pyrroles or functionalized 3-hydroxy-hydrocinnolines. The aromatization procedure of the heteroring counterpart of the 3-hydroxy-hydrocinnolines is also reported. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.06.061

文献信息

• Divergent base-induced reactivity of cycloalkenyl-1-diazenes
  作者：Orazio A. Attanasi、Stefano Berretta、Lucia De Crescentini、Gianfranco Favi、Paolino Filippone、Gianluca Giorgi、Fabio Mantellini

  DOI：10.1016/j.tet.2010.06.061

  日期：2010.8

  The different base-promoted regioselectivities of the ring closure processes in the reactions between cycloalkenyl-1-diazenes and beta-ketoesters are investigated. Under the appropriate conditions it is possible to turn the synthesis towards cycloalkenyliden-pyrroles or functionalized 3-hydroxy-hydrocinnolines. The aromatization procedure of the heteroring counterpart of the 3-hydroxy-hydrocinnolines is also reported. (C) 2010 Elsevier Ltd. All rights reserved.