2-(P-TOLUENESULFONYL)ACETOPHENONE

Base Information

• Chemical Name: 2-(P-TOLUENESULFONYL)ACETOPHENONE
• CAS No.: 31378-03-7
• Molecular Formula: C15H14O3S
• Molecular Weight: 274.34
• Hs Code.: 2914399090
• European Community (EC) Number: 250-605-0
• NSC Number: 140338
• DSSTox Substance ID: DTXSID40185305
• Nikkaji Number: J151.182C
• ChEMBL ID: CHEMBL1300727
• Mol file: 31378-03-7.mol

Synonyms:Acetophenone,2-(p-tolylsulfonyl)- (6CI,8CI);(p-Tolylsulfonyl)benzoylmethane;2-(p-Toluenesulfonyl)acetophenone;2-[(4-Methylphenyl)sulfonyl]-1-phenylethanone;4-Methylphenyl phenacyl sulfone;NSC 140338;Phenacyl p-tolyl sulfone;p-Tolyl phenacyl sulfone;a-(p-Toluenesulfonyl)acetophenone;

Chemical Property of 2-(P-TOLUENESULFONYL)ACETOPHENONE

Chemical Property:

• Vapor Pressure: 2.66E-09mmHg at 25°C
• Melting Point: 109 °C
• Refractive Index: 1.579
• Boiling Point: 478.1 °C at 760 mmHg
• Flash Point: 304.7 °C
• PSA: 59.59000
• Density: 1.227 g/cm³
• LogP: 3.73240
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 274.06636548
• Heavy Atom Count: 19
• Complexity: 394

Purity/Quality:

97% ^*data from raw suppliers

2-(p-Toluenesulfonyl)acetophenone >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)CC(=O)C2=CC=CC=C2

Technology Process of 2-(P-TOLUENESULFONYL)ACETOPHENONE

There total 192 articles about 2-(P-TOLUENESULFONYL)ACETOPHENONE 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: 99.0%

1-phenyl-2-(p-tolylthio)ethanone (33046-45-6) → 1-phenyl-2-tosylethanone (31378-03-7)

Guidance literature:

With Oxone; aluminium trichloride; for 0.5h; Heating;

Reference yield: 96.0%

1-phenyl-3-dimethylaminoprop-2-enone (1201-93-0) + toluene-4-sulfonic acid hydrazide (1576-35-8) → 1-phenyl-2-tosylethanone (31378-03-7)

Guidance literature:

1-phenyl-3-dimethylaminoprop-2-enone; toluene-4-sulfonic acid hydrazide; With tert.-butylhydroperoxide; In water; at 80 ℃; for 8h;

With copper diacetate; In water;

Reference yield: 95.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + sodium 4-methylbenzenesulfinate (824-79-3) → 1-phenyl-2-tosylethanone (31378-03-7)

Guidance literature:

With copper dichloride; In acetic acid; at 60 ℃; for 6h;

DOI:10.1016/j.tetlet.2020.152794

upstream raw materials:

1-methyl-4-(2-phenyl-2-prop-2-ene-1-sulfonyl)-benzene

1-styrenyloxytrimethylsilane

sodium 4-methylbenzenesulfinate

1-phenyl-2-(p-tolylthio)ethanone

Downstream raw materials:

α-methoxy-β-(toluene-4-sulfonyl)-styrene

4-methanesulfonyl-1-phenyl-2-(toluene-4-sulfonyl)-butan-1-one

α-benzoyl-α-(p-tolylsulfonyl)diazomethane

2-methanesulfonyl-1-phenyl-2-(p-toluenesulfonyl)ethanone