3-Methoxy Benzo[a]pyrene

Base Information

• Chemical Name: 3-Methoxy Benzo[a]pyrene
• CAS No.: 63059-68-7
• Molecular Formula: C21H14O
• Molecular Weight: 282.35
• Mol file: 63059-68-7.mol

Synonyms:8-Methoxy-3,4-benzpyrene;8-methoxybenzopyrene;3-methoxybenzopyrene;3-Methoxy Benzopyrene;

Chemical Property of 3-Methoxy Benzo[a]pyrene

Chemical Property:

• Vapor Pressure: 1.38E-09mmHg at 25°C
• Melting Point: 175-179°C
• Refractive Index: 1.4880 (estimate)
• Boiling Point: 498.6°Cat760mmHg
• Flash Point: 206.4°C
• PSA: 9.23000
• Density: 1.282g/cm³
• LogP: 5.74580
• Storage Temp.: Refrigerator
• Solubility.: DMSO

Purity/Quality:

99% ^*data from raw suppliers

3-MethoxyBenzopyrene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Metabolite of 3,4-Benzopyrene. Carcinogenic.

Technology Process of 3-Methoxy Benzo[a]pyrene

There total 19 articles about 3-Methoxy Benzo[a]pyrene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 83.0%

C22H18O2 (1094897-88-7) → 3-methoxybenzopyrene (63059-68-7)

Guidance literature:

With methanesulfonic acid; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1021/jo801864m

Reference yield: 70.0%

3-methoxy-5-ethynylchrysene (1393793-75-3) → 3-methoxybenzopyrene (63059-68-7)

Guidance literature:

With platinum(II) chloride; In toluene; at 80 ℃;

DOI:10.1016/j.tet.2012.05.130

Reference yield:

(3R,4R)-2,3,4,5-Tetrahydro-benzo[def]chrysene-3,4-diol + methyl iodide (74-88-4) → 4-methoxybenzoanthracene (56182-99-1) + 3-methoxybenzopyrene (63059-68-7)

Guidance literature:

With sodium hydride; dimethyl sulfoxide; Multistep reaction; 1) 60 deg C, 10 min, 2) RT;

DOI:10.1021/ac00056a026

upstream raw materials:

diazomethane

3-hydroxybenzo[a]pyrene

dimethyl sulfate

methyl iodide

Downstream raw materials:

3-hydroxybenzo[a]pyrene

Refernces

• 1、 Xu, Daiwang,Penning, Trevor M.,Blair, Ian A.,Harvey, Ronald G.. "Synthesis of phenol and quinone metabolites of benzo[a]pyrene, a carcinogenic component of tobacco smoke implicated in lung cancer". experimental part. p. 597 - 604. Retrieved 2009/06/20.
• 2、 Ariese, Freek,Kok, Steven J.,Verkaik, Marieke,Hoornweg, Gerard Ph.,Gooijer, Cees,Velthorst, Nel H.,Hofstraat, Johannes W.. "Chemical derivatization and Shpol'skii spectrofluorometric determination of benzo[a]pyrene metabolites in fish bile". . p. 1100 - 1106. Retrieved 2007/10/02.