1-(Phenylsulfonyl)-2-butanone

Base Information

• Chemical Name: 1-(Phenylsulfonyl)-2-butanone
• CAS No.: 33597-94-3
• Molecular Formula: C10H12O3S
• Molecular Weight: 212.269
• DSSTox Substance ID: DTXSID40452605
• Nikkaji Number: J1.090.738A
• Wikidata: Q82273341
• ChEMBL ID: CHEMBL240761
• Mol file: 33597-94-3.mol

Synonyms:1-(phenylsulfonyl)butan-2-one;CHEMBL240761;1-(phenylsulfonyl)-2-butanone;1-(benzenesulfonyl)butan-2-one;33597-94-3;D06RKS;SCHEMBL12925480;DTXSID40452605;BDBM50212545;AKOS012214712;PD179079

Chemical Property of 1-(Phenylsulfonyl)-2-butanone

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 212.05071541
• Heavy Atom Count: 14
• Complexity: 281

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)CS(=O)(=O)C1=CC=CC=C1

Technology Process of 1-(Phenylsulfonyl)-2-butanone

There total 7 articles about 1-(Phenylsulfonyl)-2-butanone 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: 83.0%

sodium benzenesulfonate (873-55-2) + 1-Bromo-2-butanone (816-40-0) → 1-(phenylsulfonyl)butan-2-one (33597-94-3)

Guidance literature:

In N,N-dimethyl-formamide; benzene;

DOI:10.1016/S0040-4039(00)85071-6

Reference yield: 82.0%

4-phenylsulfonyl-3,5-heptanedione → 1-(phenylsulfonyl)butan-2-one (33597-94-3) + propionic acid (802294-64-0,79-09-4)

Guidance literature:

With sodium hydrogensulfite; In tetrahydrofuran; water; at 60 ℃;

Reference yield: 81.0%

1-(phenylthio)-2-butanone (57814-09-2) → 1-(phenylsulfonyl)butan-2-one (33597-94-3) + 1-(phenylsulfinyl)butan-2-one (128867-22-1)

Guidance literature:

With immobilised lipase B from Candida antarctica; urea hydrogen peroxide adduct; ethyl acetate; at 37 ℃; for 24h; chemoselective reaction; Enzymatic reaction;

DOI:10.1039/d0ob01966f

upstream raw materials:

methylphenylsulfonate

propionyl chloride

sodium benzenesulfonate

1-Bromo-2-butanone

Downstream raw materials:

(R)-1-(phenylsulfonyl)butan-2-ol

(S)-1-(phenylsulfonyl)butan-2-ol

(S)-4-Benzenesulfonyl-5-ethyl-dihydro-furan-2-one

(S)-4-Benzenesulfonyl-hept-6-en-3-ol