Acetamide, N-(8-hydroxy-1-pyrenyl)-

Base Information

• Chemical Name: Acetamide, N-(8-hydroxy-1-pyrenyl)-
• CAS No.: 91598-92-4
• Molecular Formula: C₁₈H₁₃NO₂
• Molecular Weight: 275.307
• DSSTox Substance ID: DTXSID40238643
• Nikkaji Number: J585.371K
• Wikidata: Q83120932
• Mol file: 91598-92-4.mol

Synonyms:1-Acetamidopyren-8-ol;Acetamide, N-(8-hydroxy-1-pyrenyl)-;91598-92-4;CCRIS 7737;N-(8-Hydroxy-1-pyrenyl)acetamide;DTXSID40238643;8-hydroxy-N-acetyl-1-aminopyrene;ACETAMIDE,N-(8-HYDROXY(PYREN-1-YL))-

Chemical Property of Acetamide, N-(8-hydroxy-1-pyrenyl)-

Chemical Property:

• Vapor Pressure: 6.06E-15mmHg at 25°C
• Boiling Point: 599°Cat760mmHg
• Flash Point: 316.1°C
• PSA: 52.82000
• Density: 1.422g/cm³
• LogP: 4.89750
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 275.094628657
• Heavy Atom Count: 21
• Complexity: 423

Purity/Quality:

8-Hydroxy-N-Acetyl-1-Aminopyrene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=C2C=CC3=C(C=CC4=C3C2=C(C=C4)C=C1)O
• Uses: 8-Hydroxy-N-acetyl-1-aminopyrene (OHNAAP) is a metabolite of 1-Nitropyrene (1-NP) , which is one of the most abundant nitrated polycyclic arom. hydrocarbons (NPAHs) in diesel exhaust particulate matter (DEP) and is a main contributor of direct-acting mutagenicity in DEP. 8-Hydroxy-N-acetyl-1-aminopyrene can be used as a marker to measure exposure to DEP.

Technology Process of Acetamide, N-(8-hydroxy-1-pyrenyl)-

There total 2 articles about Acetamide, N-(8-hydroxy-1-pyrenyl)- 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:

1-hydroxy-8-nitropyrene (1732-29-2) → 8-hydroxy-N-acetyl-1-aminopyrene (91598-92-4)

Guidance literature:

Multi-step reaction with 2 steps

1: Zn; NH₄Cl / ethanol / 20 °C

2: ethanol

With ammonium chloride; zinc; In ethanol; 1: Reduction / 2: Acetylation;

DOI:10.1016/S0165-1218(96)90026-9

Reference yield:

acetic anhydride (108-24-7) + 8-amino-pyren-1-ol → 8-hydroxy-N-acetyl-1-aminopyrene (91598-92-4)

Guidance literature:

In ethanol;

DOI:10.1016/S0165-1218(96)90026-9

upstream raw materials:

acetic anhydride

1-hydroxy-8-nitropyrene