3,6-Dimethoxy-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,9,12-pentaene | 1040184-65-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3,6-Dimethoxy-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,9,12-pentaene
• CAS: 1040184-65-3
• 化学式: C₁₆H₁₇NO₂
• 分子量: 255.316
• InChiKey: MPAJLISUSTXRLM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  34.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,4,6-三甲基苯甲醛 、 3,6-Dimethoxy-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,9,12-pentaene 在 三氟乙酸 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以30%的产率得到
  参考文献：
  名称：

  Microwave assisted synthesis of novel annealed porphyrins

  摘要：

  New pyrrole derivatives (isoindoles) have been readily prepared by the reaction of an alpha,beta-unsaturated sulfone with ethyl isocyanoacetate in the presence of tert-BuOK in good yields. The isoindoles are converted into new porphyrins which undergo retro Diels-Alder reactions under microwave irradiation at 250 degrees C for 4 min to give novel annealed porphyrins in quantitative yields. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.04.094
• 作为产物：
  描述：

  Ethyl 3,6-dimethoxy-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,9,12-pentaene-10-carboxylate 在 氢氧化钾 作用下， 以 乙二醇 为溶剂， 以80%的产率得到3,6-Dimethoxy-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,9,12-pentaene
  参考文献：
  名称：

  Microwave assisted synthesis of novel annealed porphyrins

  摘要：

  New pyrrole derivatives (isoindoles) have been readily prepared by the reaction of an alpha,beta-unsaturated sulfone with ethyl isocyanoacetate in the presence of tert-BuOK in good yields. The isoindoles are converted into new porphyrins which undergo retro Diels-Alder reactions under microwave irradiation at 250 degrees C for 4 min to give novel annealed porphyrins in quantitative yields. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.04.094