4-Acetoxyphenyl methyl sulfone

Base Information

• Chemical Name: 4-Acetoxyphenyl methyl sulfone
• CAS No.: 67451-16-5
• Molecular Formula: C9H10O4S
• Molecular Weight: 214.242
• DSSTox Substance ID: DTXSID30509970
• Nikkaji Number: J3.118.010D
• Wikidata: Q82367945
• Mol file: 67451-16-5.mol

Synonyms:67451-16-5;4-ACETOXYPHENYL METHYL SULFONE;SCHEMBL1930857;DTXSID30509970;4-(Methanesulfonyl)phenyl acetate

Chemical Property of 4-Acetoxyphenyl methyl sulfone

Chemical Property:

• Boiling Point: 372.3±34.0 °C at 760 mmHg
• Flash Point: 178.9±25.7 °C
• PSA: 68.82000
• Density: 1.3±0.1 g/cm³
• LogP: 2.09620
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 214.02997997
• Heavy Atom Count: 14
• Complexity: 293

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC=C(C=C1)S(=O)(=O)C

Technology Process of 4-Acetoxyphenyl methyl sulfone

There total 3 articles about 4-Acetoxyphenyl methyl sulfone 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: 96.0%

4-methanesulfonyl-phenol (14763-60-1) + acetic anhydride (108-24-7) → 4-(methylsulfonyl)phenyl acetate (67451-16-5)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; at 60 ℃; for 12h; Inert atmosphere;

DOI:10.1016/j.tet.2015.03.046

Reference yield: 73.0%

4-methylsulfanyl(methylcarbonyloxy)benzene (50910-13-9) → 4-(methylsulfonyl)phenyl acetate (67451-16-5)

Guidance literature:

With hydrogenchloride; tetrabutylammonium perchlorate; oxygen; In water; acetonitrile; for 0.166667h; Electrochemical reaction; Flow reactor; Green chemistry;

DOI:10.1039/c7gc01973d

Reference yield:

4-hydroxythioanisole (1073-72-9) → 4-(methylsulfonyl)phenyl acetate (67451-16-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 2.5 h / Heating

2: 1.26 g / AcOH; H₂O₂ / H₂O / 1.08 h / Heating

With dihydrogen peroxide; acetic acid; In water;

DOI:10.1071/CH03073

upstream raw materials:

4-methylsulfanyl(methylcarbonyloxy)benzene

4-methanesulfonyl-phenol

acetic anhydride

4-hydroxythioanisole

Downstream raw materials:

2-acetyl-4-(methylsulfonyl)phenol

4-methanesulfonyl-phenol

2-Hydroxy-5-methylsulfonyl-3-nitroacetophenon

2-Amino-6-ethyl-4-methanesulfonyl-phenol; hydrochloride