8,14-diacetoxy-naphtho[1,2,3,4-def]chrysene | 141396-62-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 8,14-diacetoxy-naphtho[1,2,3,4-def]chrysene
• 英文别名: Naphtho[1.2.3.4-def]chrysendiyl-(8.14)-diacetat；8,14-Diacetoxy-naphtho[1,2,3,4-def]chrysen；(22-acetyloxy-13-hexacyclo[10.10.2.02,7.08,24.015,23.016,21]tetracosa-1(22),2,4,6,8(24),9,11,13,15(23),16,18,20-dodecaenyl) acetate
• CAS: 141396-62-5
• 化学式: C₂₈H₁₈O₄
• 分子量: 418.449
• InChiKey: FDPVCVJZPWXFOO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.74
• 重原子数：
  32.0
• 可旋转键数：
  2.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  乙酸酐 、 alkaline earth salt of/the/ methylsulfuric acid 在 吡啶 、 锌 作用下， 生成 8,14-diacetoxy-naphtho[1,2,3,4-def]chrysene
  参考文献：
  名称：

  Schiedt, Chemische Berichte, 1938, vol. 71, p. 1248,1250

  摘要：

  DOI：

文献信息

• One-electron oxidation of dibenzo[a]pyrenes by manganic acetate
  作者：Paolo Cremonesi、Bruce Hietbrink、Eleanor G. Rogan、Ercole L. Cavalieri

  DOI：10.1021/jo00038a015

  日期：1992.6

  The dibenzo[a]pyrenes (DB[a]Ps) are carcinogenic polycyclic aromatic hydrocarbons (PAH) found as environmental pollutants. DB[a,l]P is the most potent carcinogenic PAH ever tested. To investigate the bioactivation of DB[a]Ps by one-electron oxidation, oxidation of DB[a,e]P, DB[a,h]P, DB[a,i]P, DB[a,l]P, and anthanthrene with Mn(OAc)3 was conducted and compared to that of benzo[a]pyrene (B[a]P). All five DB[a]Ps produced monoacetoxy derivatives, and all of them except DB[a,l]P also produced diacetoxy derivatives. Kinetic studies of the formation of monoacetoxy and diacetoxy derivatives of DB[a]Ps were carried out, and the results were compared to those of the parent compound B[a]P. DB[a,l]P was similar to B[a]P. DB[a,e]P reacted inefficiently to form monoacetoxy and diacetoxy products. The other three DB[a]Ps resembled one another. These results provide preliminary essential information for studies of the bioactivation of the very potent carcinogen DB[a,l]P to form DNA adducts.
• Untersuchungen �ber Perylen und seine Derivate
  作者：A. Zinke、F. Bossert、E. Ziegler

  DOI：10.1007/bf00906463

  日期：——