2-(4-Chloro-benzenesulfonyl)-1-phenyl-ethanone

Base Information

• Chemical Name: 2-(4-Chloro-benzenesulfonyl)-1-phenyl-ethanone
• CAS No.: 36603-45-9
• Molecular Formula: C14H11ClO3S
• Molecular Weight: 294.759
• NSC Number: 41568
• DSSTox Substance ID: DTXSID40285374
• Nikkaji Number: J304.493I
• Wikidata: Q82020721
• Mol file: 36603-45-9.mol

Synonyms:2-(4-Chloro-benzenesulfonyl)-1-phenyl-ethanone;2-(4-chlorophenyl)sulfonyl-1-phenylethanone;36603-45-9;benzoylmethyl 4-chlorophenyl sulfone;NSC41568;SCHEMBL6201887;DTXSID40285374;NSC-41568;AKOS001572760;CCG-103533;EU-0067376

Chemical Property of 2-(4-Chloro-benzenesulfonyl)-1-phenyl-ethanone

Chemical Property:

• Vapor Pressure: 7.26E-10mmHg at 25°C
• Boiling Point: 493.1°Cat760mmHg
• Flash Point: 252°C
• Density: 1.345g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 294.0117431
• Heavy Atom Count: 19
• Complexity: 399

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)CS(=O)(=O)C2=CC=C(C=C2)Cl

Technology Process of 2-(4-Chloro-benzenesulfonyl)-1-phenyl-ethanone

There total 44 articles about 2-(4-Chloro-benzenesulfonyl)-1-phenyl-ethanone 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%

1-phenyl-3-dimethylaminoprop-2-enone (1201-93-0) + p-chlorophenylsulfonyl hydrazide (2751-25-9) → 2-((4-chlorophenyl)sulfonyl)-1-phenylethanone (36603-45-9)

Guidance literature:

1-phenyl-3-dimethylaminoprop-2-enone; p-chlorophenylsulfonyl hydrazide; With tert.-butylhydroperoxide; In water; at 80 ℃; for 8h;

With copper diacetate; In water;

Reference yield: 95.0%

4-chlorobenzenesulfonyl chloride (98-60-2) + acetophenone (98-86-2) → 2-((4-chlorophenyl)sulfonyl)-1-phenylethanone (36603-45-9)

Guidance literature:

With C₁₄H₁₉B₁₀ClIrNO; sodium carbonate; In toluene; at 20 ℃; for 5h;

Reference yield: 90.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + sodium p-chlorobenzenesulphinate (14752-66-0) → 2-((4-chlorophenyl)sulfonyl)-1-phenylethanone (36603-45-9)

Guidance literature:

With heme b; D-glucose; water; oxygen; glucose oxidase; at 20 ℃; for 2h;

DOI:10.1016/j.mcat.2020.111336

upstream raw materials:

sodium p-chlorobenzenesulphinate

α-bromoacetophenone

1-chloroacetophenone

acetophenone

Downstream raw materials:

2-(4-Chloro-benzenesulfonyl)-2-methanesulfonyl-1-phenyl-ethanone

(4-chloro-benzenesulfonyl)-methylsulfanyl-methane

2-(4-Chloro-benzenesulfonyl)-3-(1H-indol-3-yl)-1-phenyl-propan-1-one

α-<(p-chlorophenyl)sulfonyl>propiophenone

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