n-[(4-Methylphenyl)sulfonyl]butanamide

Base Information

• Chemical Name: n-[(4-Methylphenyl)sulfonyl]butanamide
• CAS No.: 58821-26-4
• Molecular Formula: C11H15 N O3 S
• Molecular Weight: 241.311
• NSC Number: 141975
• DSSTox Substance ID: DTXSID20301243
• Nikkaji Number: J502.299A
• Wikidata: Q82044944

Synonyms:58821-26-4;n-[(4-methylphenyl)sulfonyl]butanamide;NSC141975;DTXSID20301243;NSC-141975

Chemical Property of n-[(4-Methylphenyl)sulfonyl]butanamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.189g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 241.07726451
• Heavy Atom Count: 16
• Complexity: 324

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C

Technology Process of n-[(4-Methylphenyl)sulfonyl]butanamide

There total 4 articles about n-[(4-Methylphenyl)sulfonyl]butanamide 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: 95.0%

ethylthioacetic acid methyl ester (2432-51-1) + toluene-4-sulfonamide (70-55-3) → N-butanoyl-4-methyl-benzenesulfonamide (58821-26-4)

Guidance literature:

toluene-4-sulfonamide; With N-Bromosuccinimide; iron(II) chloride; In acetonitrile; at 20 ℃; for 0.0166667h;

ethylthioacetic acid methyl ester; In acetonitrile; at 45 ℃; for 8h;

DOI:10.1002/adsc.200800668

Reference yield: 93.0%

butanoic acid anhydride (106-31-0) + toluene-4-sulfonamide (70-55-3) → N-butanoyl-4-methyl-benzenesulfonamide (58821-26-4)

Guidance literature:

With thionyl chloride; silica gel; In hexane; for 0.6h; Heating;

DOI:10.1080/00397910701750185

Reference yield: 71.0%

[N-(p-tolylsulfonyl)imino]phenyliodinane (55962-05-5) + butyraldehyde (123-72-8) → N-butanoyl-4-methyl-benzenesulfonamide (58821-26-4)

Guidance literature:

With 2,2':6,2''-terpyridine; iron(II) chloride; In acetonitrile; at 20 ℃; Molecular sieve;

DOI:10.1055/s-0030-1260531

upstream raw materials:

butanoic acid anhydride

toluene-4-sulfonamide

ethylthioacetic acid methyl ester

[N-(p-tolylsulfonyl)imino]phenyliodinane

Downstream raw materials:

butanamide

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