1-(Benzenesulfinyl)propan-2-one

Base Information

• Chemical Name: 1-(Benzenesulfinyl)propan-2-one
• CAS No.: 33840-74-3
• Molecular Formula: C9H10O2S
• Molecular Weight: 182.243
• DSSTox Substance ID: DTXSID90415644
• Nikkaji Number: J782.183B
• Mol file: 33840-74-3.mol

Synonyms:1-(benzenesulfinyl)propan-2-one;ghl.PD_Mitscher_leg0.306;33840-74-3;(Phenylsulfinyl)acetone;1-(phenylsulfinyl)acetone;phenylsulfinyl-2-propanone;SCHEMBL6912635;DTXSID90415644;AKOS013962065

Chemical Property of 1-(Benzenesulfinyl)propan-2-one

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 182.04015073
• Heavy Atom Count: 12
• Complexity: 183

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(Benzenesulfinyl)propan-2-one

There total 16 articles about 1-(Benzenesulfinyl)propan-2-one 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: 78.0%

1-(phenylsulfanyl)acetone (5042-53-5) + dibenzoyl peroxide (94-36-0) → 2-oxo-1-(phenylthio)propyl benzoate (1261152-64-0) + 1-(phenylsulfinyl)propan-2-one (33840-74-3)

Guidance literature:

In toluene; at 20 ℃; for 96h; Solvent;

DOI:10.1039/c7ra10888e

Reference yield: 67.0%

1-(phenylsulfanyl)acetone (5042-53-5) → 1-(phenylsulfinyl)propan-2-one (33840-74-3) + 1-phenylsulfonyl-2-propanone (5000-44-2)

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

Reference yield: 56.0%

1-(phenylsulfanyl)acetone (5042-53-5) → 1-(phenylsulfinyl)propan-2-one (33840-74-3) + diphenyldisulfane (882-33-7) + 1-phenylsulfonyl-2-propanone (5000-44-2)

Guidance literature:

With iodoxybenzene; bis(acetylacetonate)oxovanadium; In benzene; Product distribution; Heating;

upstream raw materials:

1-(phenylsulfanyl)acetone

Phenyl 2-cyano-2-hydroxypropyl sulfoxide

1-((S)-Benzenesulfinyl)-2-methoxy-piperidine

2-(Trimethylsilyloxy)propene

Downstream raw materials:

(R)-1-(phenylsulfinyl)-2-propanone

(S_S,S_C)-1-(phenylsulfinyl)-2-propanol

methyl orsellinate

bis(p-methylphenyl)-methanone