6,8,15,17-tetrakis-(p-tert-butylphenyl)-7,16-quinone | 894808-97-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 并五苯醌
• 英文名称: 6,8,15,17-tetrakis-(p-tert-butylphenyl)-7,16-quinone
• 英文别名: 6,8,15,17-Tetrakis(4-tert-butylphenyl)heptacene-7,16-dione
• CAS: 894808-97-0
• 化学式: C₇₀H₆₄O₂
• 分子量: 937.277
• InChiKey: MRIHVCUACYGQPB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  21.1
• 重原子数：
  72
• 可旋转键数：
  8
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6,8,15,17-tetrakis-(p-tert-butylphenyl)-7,16-quinone 在 硼烷四氢呋喃络合物 作用下， 以 四氢呋喃 为溶剂， 以33%的产率得到7,16-dihydro-6,8,15,17-tetrakis(p-tert-butylphenyl)heptacene
  参考文献：
  名称：

  Synthesis and Photophysical Properties of Dihydroheptacenes:  New Blue-Emitting Materials

  摘要：

  7,16-Dihydroheptacenes (1-3) substituted at the 6, 8, 15, and 17 positions are synthesized as blue emitters potentially useful in organic light emitting diodes (OLEDs). The photophysical properties of 1 - 3 ( lambda(max) = 424- 428 nm, Phi(F) = 0.15- 0.21, tau(F) = 2.35 - 2.67 ns in CH2Cl2) are discussed. They are shown to be stable and efficient blue emitters in the solid state (Phi(F) = 0.37 - 0.44). The X-ray crystal structure of 1 is reported.

  DOI：

  10.1021/jo0601314
• 作为产物：
  描述：

  2,3-萘二羧酸 在 sodium hydroxide 、 sodium tetrahydroborate 、 三氯化铝 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 乙醚 、 水 、 苯 为溶剂， 反应 85.0h， 生成 6,8,15,17-tetrakis-(p-tert-butylphenyl)-7,16-quinone
  参考文献：
  名称：

  Synthesis and Photophysical Properties of Dihydroheptacenes:  New Blue-Emitting Materials

  摘要：

  7,16-Dihydroheptacenes (1-3) substituted at the 6, 8, 15, and 17 positions are synthesized as blue emitters potentially useful in organic light emitting diodes (OLEDs). The photophysical properties of 1 - 3 ( lambda(max) = 424- 428 nm, Phi(F) = 0.15- 0.21, tau(F) = 2.35 - 2.67 ns in CH2Cl2) are discussed. They are shown to be stable and efficient blue emitters in the solid state (Phi(F) = 0.37 - 0.44). The X-ray crystal structure of 1 is reported.

  DOI：

  10.1021/jo0601314

文献信息

• Synthesis and Photophysical Properties of Dihydroheptacenes:  New Blue-Emitting Materials
  作者：Rajib Mondal、Bipin K. Shah、Douglas C. Neckers

  DOI：10.1021/jo0601314

  日期：2006.5.1

  7,16-Dihydroheptacenes (1-3) substituted at the 6, 8, 15, and 17 positions are synthesized as blue emitters potentially useful in organic light emitting diodes (OLEDs). The photophysical properties of 1 - 3 ( lambda(max) = 424- 428 nm, Phi(F) = 0.15- 0.21, tau(F) = 2.35 - 2.67 ns in CH2Cl2) are discussed. They are shown to be stable and efficient blue emitters in the solid state (Phi(F) = 0.37 - 0.44). The X-ray crystal structure of 1 is reported.