1-(ethoxycarbonyl)-3-azahepta-1,3,5-triene | 909032-48-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-(ethoxycarbonyl)-3-azahepta-1,3,5-triene
• CAS: 909032-48-0
• 化学式: C₉H₁₃NO₂
• 分子量: 167.208
• InChiKey: SNEXMZXETJRNCE-VTVTYHDSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.71
• 重原子数：
  12.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  38.66
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-(ethoxycarbonyl)-3-azahepta-1,3,5-triene 在 manganese triacetate 、 溶剂黄146 作用下， 以 氯仿 为溶剂， 反应 18.5h， 生成 ethyl 1-(1-propenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarboxylate
  参考文献：
  名称：

  Regioselective cycloaddition of 3-azatrienes with enamines. Synthesis of pyridines derived from β-aminoacids

  摘要：

  Aza-Wittig reaction of N-vinylic phosphazenes with alpha,beta-unsaturated aldehydes leads to the formation of 3-azatrienes through a [2+2]-cycloaddition-cycloreversion process. Subsequent, regioselective [4+2]-cycloaddition of 3-azatrienes with pyrrolidinocycloalkanone affords bicyclic dihydropyridines and pyridines in a regioselective fashion. 2-Heterodiene moiety of azatriene is involved in the formation of the six-membered ring skeleton of pyridine derivatives. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.05.073
• 作为产物：
  描述：

  巴豆醛 、 4-(Ethoxycarbonyl)-1,1-diphenyl-1-methyl-2-aza-1λ⁵-phosphabuta-1,3-diene 以 氯仿 为溶剂， 反应 24.0h， 以65%的产率得到1-(ethoxycarbonyl)-3-azahepta-1,3,5-triene
  参考文献：
  名称：

  Regioselective cycloaddition of 3-azatrienes with enamines. Synthesis of pyridines derived from β-aminoacids

  摘要：

  Aza-Wittig reaction of N-vinylic phosphazenes with alpha,beta-unsaturated aldehydes leads to the formation of 3-azatrienes through a [2+2]-cycloaddition-cycloreversion process. Subsequent, regioselective [4+2]-cycloaddition of 3-azatrienes with pyrrolidinocycloalkanone affords bicyclic dihydropyridines and pyridines in a regioselective fashion. 2-Heterodiene moiety of azatriene is involved in the formation of the six-membered ring skeleton of pyridine derivatives. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.05.073

文献信息

• Regioselective cycloaddition of 3-azatrienes with enamines. Synthesis of pyridines derived from β-aminoacids
  作者：Francisco Palacios、Esther Herrán、Concepción Alonso、Gloria Rubiales

  DOI：10.1016/j.tet.2006.05.073

  日期：2006.8

  Aza-Wittig reaction of N-vinylic phosphazenes with alpha,beta-unsaturated aldehydes leads to the formation of 3-azatrienes through a [2+2]-cycloaddition-cycloreversion process. Subsequent, regioselective [4+2]-cycloaddition of 3-azatrienes with pyrrolidinocycloalkanone affords bicyclic dihydropyridines and pyridines in a regioselective fashion. 2-Heterodiene moiety of azatriene is involved in the formation of the six-membered ring skeleton of pyridine derivatives. (c) 2006 Elsevier Ltd. All rights reserved.