1,2,6,7-tetrahydro-3,4:9,10-dibenzopyrene | 89382-27-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 1,2,6,7-tetrahydro-3,4:9,10-dibenzopyrene
• 英文别名: Hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2,4,6,8,12,14,16,18,20(24)-decaene
• CAS: 89382-27-4
• 化学式: C₂₄H₁₈
• 分子量: 306.407
• InChiKey: ANKDDWKYAYAINL-UHFFFAOYSA-N

物化性质

• 沸点：
  528.9±35.0 °C(Predicted)
• 密度：
  1.247±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  24
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1,2,6,7-tetrahydro-3,4:9,10-dibenzopyrene 在 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 苯 为溶剂， 反应 4.0h， 以85%的产率得到二苯并[a,i]芘
  参考文献：
  名称：

  Synthesis of Dibenzopyrenes and Pyrenes via Photolytic Sulfur Extrusion and Intramolecular Cross-Coupling Reactions of Dithia[3.3](1,3)naphthalenophanes and Dithia[3.3]metacyclophanes

  摘要：

  The syntheses of several substituted dithia[3.3]metacyclophanes and dithia[3.3](1,3)naphthalenophanes are reported and their photolyses in triethyl or trimethyl phosphite are described. Under these conditions, the corresponding tetrahydrodibenzopyrenes and tetrahydropyrenes are produced in a one-pot procedure when the precursor dithianaphthalenophanes and dithiacyclophanes possess at least one intraannular methoxyl group. A mechanism with supporting evidence is proposed to account for these results. Structural determinations of the four isomeric 11,22-dimethoxy-2,13-dithia[3.3](1,3)naphthalenophanes by NMR and X-ray single-crystal diffraction studies are also described. The syntheses of the novel anti-transoid- and anti-cisoid-[2.2](1,3)naphthalenophanes are also described.

  DOI：

  10.1021/jo970181w
• 作为产物：
  描述：

  二苯并[a,i]芘 在 异戊醇 、 sodium 作用下， 生成 1,2,6,7-tetrahydro-3,4:9,10-dibenzopyrene
  参考文献：
  名称：

  Investigation of the Metabolism of 3,4,9,10-Dibenzpyrene

  摘要：

  DOI：

  10.1021/jo01051a063

文献信息

• Synthesis of Dibenzopyrenes and Pyrenes via Photolytic Sulfur Extrusion and Intramolecular Cross-Coupling Reactions of Dithia[3.3](1,3)naphthalenophanes and Dithia[3.3]metacyclophanes
  作者：Muhammad Ashram、David O. Miller、John N. Bridson、Paris E. Georghiou

  DOI：10.1021/jo970181w

  日期：1997.9.1

  The syntheses of several substituted dithia[3.3]metacyclophanes and dithia[3.3](1,3)naphthalenophanes are reported and their photolyses in triethyl or trimethyl phosphite are described. Under these conditions, the corresponding tetrahydrodibenzopyrenes and tetrahydropyrenes are produced in a one-pot procedure when the precursor dithianaphthalenophanes and dithiacyclophanes possess at least one intraannular methoxyl group. A mechanism with supporting evidence is proposed to account for these results. Structural determinations of the four isomeric 11,22-dimethoxy-2,13-dithia[3.3](1,3)naphthalenophanes by NMR and X-ray single-crystal diffraction studies are also described. The syntheses of the novel anti-transoid- and anti-cisoid-[2.2](1,3)naphthalenophanes are also described.
• Investigation of the Metabolism of 3,4,9,10-Dibenzpyrene
  作者：ENVARE ÜNSEREN、LOUIS F. FIESER

  DOI：10.1021/jo01051a063

  日期：1962.4