4-[(Benzenesulfonyl)methyl]-1,2-dimethyl-5-nitro-1H-imidazole

Base Information

Chemical Name:4-[(Benzenesulfonyl)methyl]-1,2-dimethyl-5-nitro-1H-imidazole
CAS No.:116248-42-1
Molecular Formula:C12H13N3O4S
Molecular Weight:295.319
Hs Code.:
ChEMBL ID:CHEMBL478264
DSSTox Substance ID:DTXSID00553102
Wikidata:Q82433609

Synonyms:116248-42-1;CHEMBL478264;DTXSID00553102;4-[(Benzenesulfonyl)methyl]-1,2-dimethyl-5-nitro-1H-imidazole

Suppliers and Price of 4-[(Benzenesulfonyl)methyl]-1,2-dimethyl-5-nitro-1H-imidazole

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 4-[(Benzenesulfonyl)methyl]-1,2-dimethyl-5-nitro-1H-imidazole

Chemical Property:

XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:295.06267708
Heavy Atom Count:20
Complexity:450

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NC(=C(N1C)[N+](=O)[O-])CS(=O)(=O)C2=CC=CC=C2

Technology Process of 4-[(Benzenesulfonyl)methyl]-1,2-dimethyl-5-nitro-1H-imidazole

There total 2 articles about 4-[(Benzenesulfonyl)methyl]-1,2-dimethyl-5-nitro-1H-imidazole 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: 73.0%

: 551-92-8
dimetridazole

: 7205-98-3
chloromethyl phenyl sulfone

: 116248-42-1
1,2-dimethyl-4-phenylsulfonylmethyl-5-nitroimidazole

Guidance literature:: With potassium hydroxide; In dimethyl sulfoxide; for 0.25h;

Reference yield:

: 873-55-2
sodium benzenesulfonate

: 116248-42-1
1,2-dimethyl-4-phenylsulfonylmethyl-5-nitroimidazole

Guidance literature:: Multi-step reaction with 2 steps

1: 63 percent / dimethylsulfoxide / 12 h / 58 °C

2: 28 percent / KOH / dimethylsulfoxide / 0.17 h / 20 °C

With potassium hydroxide; In dimethyl sulfoxide;
DOI:10.1080/00397910600943873