1-Methyl-5-(4-methylphenylsulfonyl)-4-nitro-1H-imidazole

Base Information

Chemical Name:1-Methyl-5-(4-methylphenylsulfonyl)-4-nitro-1H-imidazole
CAS No.:108375-63-9
Molecular Formula:C11H11 N3 O4 S
Molecular Weight:281.28774
Hs Code.:2933290090
DSSTox Substance ID:DTXSID40545324
Wikidata:Q82422779
Mol file:108375-63-9.mol

Synonyms:108375-63-9;1-Methyl-5-(4-methylphenylsulfonyl)-4-nitro-1H-imidazole;1-methyl-5-(4-methylphenyl)sulfonyl-4-nitroimidazole;Oprea1_328979;DTXSID40545324;MFCD01927954;A801867;J-002130;1-methyl-5-(4-methylphenyl)sulfonyl-4-nitro-imidazole;1-Methyl-5-(4-methylbenzene-1-sulfonyl)-4-nitro-1H-imidazole

Suppliers and Price of 1-Methyl-5-(4-methylphenylsulfonyl)-4-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

Crysdot
1-Methyl-5-(4-methylphenylsulfonyl)-4-nitro-1H-imidazole 95+%
1g
$ 469.00

American Custom Chemicals Corporation
1-METHYL-5-(4-METHYLPHENYLSULFONYL)-4-NITRO-1H-IMIDAZOLE 95.00%
5MG
$ 501.57

Total 6 raw suppliers

Chemical Property of 1-Methyl-5-(4-methylphenylsulfonyl)-4-nitro-1H-imidazole

Chemical Property:

Vapor Pressure:6.34E-12mmHg at 25°C
Refractive Index:1.651
Boiling Point:558.3°C at 760 mmHg
Flash Point:291.4°C
PSA：106.16000
Density:1.46g/cm³
LogP:3.07350
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:281.04702701
Heavy Atom Count:19
Complexity:434

Purity/Quality:

97% ^*data from raw suppliers

1-Methyl-5-(4-methylphenylsulfonyl)-4-nitro-1H-imidazole 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)C2=C(N=CN2C)[N+](=O)[O-]

Technology Process of 1-Methyl-5-(4-methylphenylsulfonyl)-4-nitro-1H-imidazole

There total 3 articles about 1-Methyl-5-(4-methylphenylsulfonyl)-4-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: 82.0%

: 18383-80-7
1-methyl-5-(4'-methylphenyl)thio-4-nitroimidazole

: 108375-63-9
1-methyl-4-nitro-5-(4-methylphenylsulfonyl)-1H-imidazole

Guidance literature:: With dihydrogen peroxide; In acetic acid; at 100 - 120 ℃; for 0.5h;
DOI:10.1071/CH9871415

Reference yield: 65.0%

: 933-87-9
1-methyl-5-bromo-4-nitro-1H-imidazole

: 824-79-3
sodium 4-methylbenzenesulfinate

: 108375-63-9
1-methyl-4-nitro-5-(4-methylphenylsulfonyl)-1H-imidazole

Guidance literature:: In N,N-dimethyl-formamide; for 3h; Reflux;
DOI:10.1002/ardp.200800022

Reference yield:

: 106-45-6
para-thiocresol

: 108375-63-9
1-methyl-4-nitro-5-(4-methylphenylsulfonyl)-1H-imidazole

Guidance literature:: Multi-step reaction with 2 steps

1: 83 percent / KOH / ethanol / 2 h / Heating

2: 82 percent / 30percent hydrogen peroxide / acetic acid / 0.5 h / 100 - 120 °C

With potassium hydroxide; dihydrogen peroxide; In ethanol; acetic acid;
DOI:10.1071/CH9871415