6-Acetoxymethylbenzo(a)pyrene

Base Information

• Chemical Name: 6-Acetoxymethylbenzo(a)pyrene
• CAS No.: 42978-43-8
• Molecular Formula: C23H16O2
• Molecular Weight: 324.379
• Hs Code.: 2915390090
• UNII: FP2ZUH6F23
• DSSTox Substance ID: DTXSID40195601
• Nikkaji Number: J587.933G
• Wikidata: Q83068600
• Mol file: 42978-43-8.mol

Synonyms:6-acetoxymethylbenzo(a)pyrene;6-CH3COOCH2-BAP

Chemical Property of 6-Acetoxymethylbenzo(a)pyrene

Chemical Property:

• Vapor Pressure: 3.14E-11mmHg at 25°C
• Refractive Index: 1.5100 (estimate)
• Boiling Point: 527.8°C at 760 mmHg
• Flash Point: 211.1°C
• PSA: 26.30000
• Density: 1.303g/cm³
• LogP: 5.80030
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 324.115029749
• Heavy Atom Count: 25
• Complexity: 514

Purity/Quality:

99% ^*data from raw suppliers

6-ACETOXYMETHYLBENZO(A)PYRENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51

Technology Process of 6-Acetoxymethylbenzo(a)pyrene

There total 4 articles about 6-Acetoxymethylbenzo(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: 62.0%

6-Methylbenzopyrene (2381-39-7) + Mangantriacetat → 6-(hydroxymethyl)benzopyrene (21247-98-3) + 6-Acetoxymethylbenzpyren (42978-43-8) + Acetic acid 6-methyl-benzo[def]chrysen-3-yl ester (121962-96-7) + Acetic acid 6-methyl-benzo[def]chrysen-1-yl ester (121962-95-6)

Guidance literature:

In acetic acid; at 40 ℃; for 0.5h; Further byproducts given. Yields of byproduct given;

DOI:10.1021/jo00276a013

Reference yield: 17.0%

tetramethyl ammonium acetate (10581-12-1) + C21H14(1+)*ClO4(1-) → 6-Methylbenzopyrene (2381-39-7) + 6-(hydroxymethyl)benzopyrene (21247-98-3) + 6-Acetoxymethylbenzpyren (42978-43-8)

Guidance literature:

In acetonitrile; for 0.25h;

DOI:10.1021/jo00104a024

Reference yield: 17.0%

6-Methylbenzopyrene (2381-39-7) + tetramethyl ammonium acetate (10581-12-1) → 6-(hydroxymethyl)benzopyrene (21247-98-3) + 6-Acetoxymethylbenzpyren (42978-43-8)

Guidance literature:

6-Methylbenzopyrene; With iodine; silver perchlorate; In benzene;

tetramethyl ammonium acetate; In water; acetonitrile;

DOI:10.3109/00498259509061890

upstream raw materials:

6-Methylbenzopyrene

tetramethyl ammonium acetate

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 42978-43-8 6-acetoxymethylbenzo(a)pyrene

Send

Send

Metric Ton KG G Pound L ML

Send

Send