N-[3-(methylsulfonyl)phenyl]acetamide

Base Information

• Chemical Name: N-[3-(methylsulfonyl)phenyl]acetamide
• CAS No.: 58202-85-0
• Molecular Formula: C₉H₁₁NO₃S
• Molecular Weight: 213.257
• DSSTox Substance ID: DTXSID201285316
• Nikkaji Number: J2.035.234E
• ChEMBL ID: CHEMBL1427828
• Mol file: 58202-85-0.mol

Synonyms:N-[3-(methylsulfonyl)phenyl]acetamide;N-(3-methylsulfonylphenyl)acetamide;Oprea1_462814;MLS000702165;CHEMBL1427828;SCHEMBL15461385;DTXSID201285316;HMS2509G16;AKOS009035573;58202-85-0;SMR000224790;1-(Methylsulfonyl)-3-(acetylamino)benzene;AE-562/12222470

Chemical Property of N-[3-(methylsulfonyl)phenyl]acetamide

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 213.04596439
• Heavy Atom Count: 14
• Complexity: 305

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC(=CC=C1)S(=O)(=O)C

Technology Process of N-[3-(methylsulfonyl)phenyl]acetamide

There total 4 articles about N-[3-(methylsulfonyl)phenyl]acetamide 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: 69.0%

3-Acetamidophenylboronic acid (78887-39-5) + sodium methansulfinate (20277-69-4) → acetic acid-(3-methanesulfonyl-anilide) (58202-85-0)

Guidance literature:

With copper diacetate; 4 Angstroem MS; potassium carbonate; In dimethyl sulfoxide; at 20 ℃; for 16h;

DOI:10.1016/j.tetlet.2004.02.127

Reference yield:

N-(3-(methylthio)phenyl)acetamide (2524-78-9) → acetic acid-(3-methanesulfonyl-anilide) (58202-85-0)

Guidance literature:

With dihydrogen peroxide; acetic acid;

Reference yield:

1-methanesulfonyl-3-nitro-benzene (2976-32-1) → acetic acid-(3-methanesulfonyl-anilide) (58202-85-0)

Guidance literature:

Multi-step reaction with 2 steps

1: Raney nickel / Hydrogenation

With nickel;

upstream raw materials:

N-(3-(methylthio)phenyl)acetamide

3-Acetamidophenylboronic acid

sodium methansulfinate

1-methanesulfonyl-3-nitro-benzene

Downstream raw materials:

3-methylsulfonylaniline hydrochloride