4-甲氧基苯并(a)芘 | 56182-99-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 中文名称: 4-甲氧基苯并(a)芘
• 英文名称: 4-methoxybenzoanthracene
• 英文别名: 7-methoxybenzopyrene；4-Methoxy-benzopyren；4-Methoxybenzo(a)pyrene；4-methoxybenzo[a]pyrene
• CAS: 56182-99-1
• 化学式: C₂₁H₁₄O
• 分子量: 282.342
• InChiKey: CNVYLULNAHQNNC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

SDS

反应信息

• 作为产物：
  描述：

  苯并(a)芘-4,5-环氧化物 在 盐酸 、 sodium methylate 作用下， 以 丙酮 为溶剂， 反应 3.0h， 生成 4-甲氧基苯并(a)芘
  参考文献：
  名称：

  3-甲基胆蒽，苯并[a]蒽和苯并[a] py的K区环氧对映体的绝对构型。

  摘要：

  DOI：

  10.1021/ac00149a011

文献信息

• Ariese F., Kok S. J., Verkaik M., Hoornweg G. Ph., Gooijer C., Velthorst +, Anal. Chem., 65 (1993) N 8, S 1100-1106
  作者：Ariese F., Kok S. J., Verkaik M., Hoornweg G. Ph., Gooijer C., Velthorst +

  DOI：——

  日期：——
• YAGI H.; HOLDER G. M.; DANSETTE P. M.; HERNANDEZ O.; YEH H. J. C.; LEMAHI+, J. ORG. CHEM. <JOCE-AH>, 1976, 41, NO 6, 977-985
  作者：YAGI H.、 HOLDER G. M.、 DANSETTE P. M.、 HERNANDEZ O.、 YEH H. J. C.、 LEMAHI+

  DOI：——

  日期：——
• Chemical derivatization and Shpol'skii spectrofluorometric determination of benzo[a]pyrene metabolites in fish bile
  作者：Freek. Ariese、Steven J. Kok、Marieke. Verkaik、Gerard P. Hoornweg、Cees. Gooijer、Nel H. Velthorst、Johannes W. Hofstraat

  DOI：10.1021/ac00056a026

  日期：1993.4.15

  The practical applicability and analytical performance of laser-excited Shpol'skii spectroscopy (LESS) for the determination of benzo[a]pyrene (BaP) metabolites was studied. Quantitation of these compounds in fish bile can provide insight into the BaP uptake from a contaminated aquatic environment (biomonitoring). Chemical derivatization of hydroxylated BaP metabolites with methyl iodide (to improve the compatibility with the Shpol'skii matrix) was tested. The methylation of phenolic metabolites was rapid and quantitative, but with BaP-dihydro diol metabolites, mixtures of methylation and elimination products were formed. An analytical procedure was developed for the quantitative determination of 3-OH-BaP, the major BaP metabolite detected in bile from flounder (Platichthys flesus). With LESS, the detection limit was 0.005 ng/ML (200 amol); the repeatability was 16 %. The method was applied to a mesocosm experiments in which flounders were exposed to different sediments. The average BaP uptake from Rotterdam harbor sediment was 40 times higher than the uptake from Wadden Sea sand. Direct contact with the sediments was a major route of exposure. The usefulness of the method for the biomonitoring of polycyclic aromatic hydrocarbon stress in the aquatic environment is discussed.
• Absolute configurations of K-region epoxide enantiomers of 3-methylcholanthrene, benz[a]anthracene, and benzo[a]pyrene
  作者：Henri B. Weems、Mohammad. Mushtaq、Shen K. Yang

  DOI：10.1021/ac00149a011

  日期：1987.11.15