2-[(4-Methylphenyl)sulfonyl]-1-(4-nitrophenyl)ethan-1-one

Base Information

Chemical Name:2-[(4-Methylphenyl)sulfonyl]-1-(4-nitrophenyl)ethan-1-one
CAS No.:56858-46-9
Molecular Formula:C15H13NO5S
Molecular Weight:319.338
Hs Code.:
DSSTox Substance ID:DTXSID40369547
Nikkaji Number:J304.476I
Wikidata:Q82156694
ChEMBL ID:CHEMBL244889

Synonyms:2-[(4-methylphenyl)sulfonyl]-1-(4-nitrophenyl)ethan-1-one;56858-46-9;2-(4-methylphenyl)sulfonyl-1-(4-nitrophenyl)ethanone;MLS000861504;CHEMBL244889;4'-Nitro-alpha-tosylacetophenone;DTXSID40369547;HMS2791M05;SMR000460288;2-[(4-methylphenyl)sulfonyl]-1-(4-nitrophenyl)ethanone

Suppliers and Price of 2-[(4-Methylphenyl)sulfonyl]-1-(4-nitrophenyl)ethan-1-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of 2-[(4-Methylphenyl)sulfonyl]-1-(4-nitrophenyl)ethan-1-one

Chemical Property:

PSA：105.41000
LogP:4.16380
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:319.05144369
Heavy Atom Count:22
Complexity:503

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 2-[(4-Methylphenyl)sulfonyl]-1-(4-nitrophenyl)ethan-1-one

There total 27 articles about 2-[(4-Methylphenyl)sulfonyl]-1-(4-nitrophenyl)ethan-1-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: 100.0%

: 99-81-0
4-Nitrophenacyl bromide

: 824-79-3
sodium 4-methylbenzenesulfinate

: 56858-46-9
1-(4-nitrophenyl)-2-(toluene-4-sulfonyl)ethanone

Guidance literature:: In 1,4-dioxane; water; Reflux;
DOI:10.1055/s-0036-1589479

Reference yield: 96.0%

: C₁₅H₁₂ClNO₄

: 824-79-3
sodium 4-methylbenzenesulfinate

: 56858-46-9
1-(4-nitrophenyl)-2-(toluene-4-sulfonyl)ethanone

Guidance literature:: With sodium hydrogencarbonate; potassium iodide; In tetrahydrofuran; at 50 ℃; for 3h; chemoselective reaction;
DOI:10.1080/00397911.2017.1362439