1-Acetoxypyrene

Base Information

• Chemical Name: 1-Acetoxypyrene
• CAS No.: 78751-40-3
• Molecular Formula: C₁₈H₁₂O₂
• Molecular Weight: 260.292
• Mol file: 78751-40-3.mol

Synonyms:1-Pyrenol,acetate (9CI); 1-Acetoxypyrene

Chemical Property of 1-Acetoxypyrene

Chemical Property:

• Vapor Pressure: 4.95E-08mmHg at 25°C
• Melting Point: 246-247℃
• Boiling Point: 442.6°Cat760mmHg
• Flash Point: 141.2°C
• PSA: 26.30000
• Density: 1.304g/cm³
• LogP: 4.50930

Purity/Quality:

99% ^*data from raw suppliers

1-PyrenolAcetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 1-Pyrenol Acetate is an intermediate in the synthesis of 8-Nitro-1-pyrenol-d8 (N519992), which is an urinary hydroxylated metabolites used as a biomarkers of exposure of polycyclic aromatic hydrocarbons. This is the labeled analog.

Technology Process of 1-Acetoxypyrene

There total 19 articles about 1-Acetoxypyrene 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: 96.2%

1-acetylpyrene (3264-21-9) → pyren-1-yl acetate (78751-40-3)

Guidance literature:

With sodium perborate; In dichloromethane; for 6h; Reflux;

Reference yield: 94.0%

1-hydroxypyrene (5315-79-7) + acetyl chloride (75-36-5) → pyren-1-yl acetate (78751-40-3)

Guidance literature:

1-hydroxypyrene; With sodium hydride; In tetrahydrofuran; at 20 ℃; for 0.166667h;

acetyl chloride; In tetrahydrofuran; at 20 ℃; for 1h;

DOI:10.1016/j.tetlet.2017.10.007

Reference yield: 53.0%

pyrene (129-00-0) + acetic acid (64-19-7,77671-22-8) → pyren-1-yl acetate (78751-40-3)

Guidance literature:

With lead(IV) tetraacetate; In toluene; at 80 ℃; for 6h;

DOI:10.1021/jp2126416

upstream raw materials:

1-hydroxypyrene

pyrene

lead(IV) tetraacetate

1-acetylpyrene

Downstream raw materials:

8-acetoxy-1-nitropyrene

6-acetoxy-1-nitropyrene

3-acetoxy-1-nitropyrene

1-hydroxy-8-nitropyrene

Refernces

• 1、 -. "Preparation method of N-acylpyrene amine and preparation method of 1-hydroxypyrene". . . Retrieved 2021/04/21.
• 2、 Passarelli, James V.,Fairfield, Daniel J.,Sather, Nicholas A.,Hendricks, Mark P.,Sai, Hiroaki,Stern, Charlotte L.,Stupp, Samuel I.. "Enhanced Out-of-Plane Conductivity and Photovoltaic Performance in n = 1 Layered Perovskites through Organic Cation Design". supporting information. p. 7313 - 7323. Retrieved 2018/06/26.