6,13-dihydro-6,13-[4',5']-3',6'-(di-2"-pyridyl)pyridazinopentacene | 1370025-49-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 并四苯
• 英文名称: 6,13-dihydro-6,13-[4',5']-3',6'-(di-2"-pyridyl)pyridazinopentacene
• 英文别名: 24,27-Dipyridin-2-yl-25,26-diazaheptacyclo[10.10.6.02,11.04,9.013,22.015,20.023,28]octacosa-2,4,6,8,10,13,15,17,19,21,23(28),24,26-tridecaene
• CAS: 1370025-49-2
• 化学式: C₃₆H₂₂N₄
• 分子量: 510.597
• InChiKey: BEIKWBHSNLBJFR-UHFFFAOYSA-N

物化性质

• 密度：
  1.329±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  40
• 可旋转键数：
  2
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3,6-二-2-吡啶基-1,2,4,5-四嗪 、 6,13-dihydro-14-hydroxy-6,13-ethenopentacene 以 1,4-二氧六环 为溶剂， 以48%的产率得到6,13-dihydro-6,13-[4',5']-3',6'-(di-2"-pyridyl)pyridazinopentacene
  参考文献：
  名称：

  Thermal Generation of Pentacenes from Soluble 6,13-Dihydro-6,13-ethenopentacene Precursors by a Diels–Alder-retro-Diels–Alder Sequence with 3,6-Disubstituted Tetrazines

  摘要：

  3,6-Substituted tetrazines 2 (a: R-2 = 2-pyridyl or b: CO2Me) react with 2,3,9,10-(R-1)(4)-dihydro-6,13-ethenopentacene 3 in solution at elevated temperature to the corresponding pentacene 1 (a: R-1 = H, b: OBn, c: F).

  DOI：

  10.1021/jo202450u

文献信息

• Thermal Generation of Pentacenes from Soluble 6,13-Dihydro-6,13-ethenopentacene Precursors by a Diels–Alder-retro-Diels–Alder Sequence with 3,6-Disubstituted Tetrazines
  作者：Rafael P. Bula、Iris M. Oppel、Holger F. Bettinger

  DOI：10.1021/jo202450u

  日期：2012.4.6

  3,6-Substituted tetrazines 2 (a: R-2 = 2-pyridyl or b: CO2Me) react with 2,3,9,10-(R-1)(4)-dihydro-6,13-ethenopentacene 3 in solution at elevated temperature to the corresponding pentacene 1 (a: R-1 = H, b: OBn, c: F).