N-tert-Butyl-4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide

Base Information

Chemical Name:N-tert-Butyl-4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide
CAS No.:499777-85-4
Molecular Formula:C₂₀H₂₁ClFN₃O₃S
Molecular Weight:437.922
Hs Code.:
European Community (EC) Number:946-493-4
DSSTox Substance ID:DTXSID901114720

Synonyms:SCHEMBL4409783;FRZYUVYOHGEOAJ-UHFFFAOYSA-N;DTXSID901114720;N-tert-Butyl-4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide;4-[4-Chloro-5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-1-yl]-N-(1,1-dimethylethyl)benzenesulfonamide;499777-85-4

Suppliers and Price of N-tert-Butyl-4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide

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

TRC
N-tert-ButylCimicoxib
500mg
$ 1320.00

Total 1 raw suppliers

Chemical Property of N-tert-Butyl-4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide

Chemical Property:

XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:437.0976186
Heavy Atom Count:29
Complexity:646

Purity/Quality:

99.9% ^*data from raw suppliers

N-tert-ButylCimicoxib ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)N2C=NC(=C2C3=CC(=C(C=C3)OC)F)Cl
Uses N-tert-Butyl Cimicoxib is an intermediate in the synthesis of Cimicoxib (C441690). Cimicoxib is a long-acting COX-2 Inhibitor and is developed as a non-steroidal anti-inflammatory veterinary drug used to treat dogs with inflammation and pain associated with osteoarthritis.

Technology Process of N-tert-Butyl-4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide

There total 5 articles about N-tert-Butyl-4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide 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%

: 499777-84-3
1-(tert-butylaminosulfonylphenyl)-5-(3-fluoro-4-methoxyphenyl)imidazole

: 499777-85-4
1-(tert-butylaminosulfonylphenyl)-4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazole

Guidance literature:: With N-chloro-succinimide; In acetonitrile; at 81 ℃; for 24h;
DOI:10.1021/jm030765s

Reference yield:

: 209917-48-6
4-amino-N-(dimethylethyl)benzenesulfonamide

: 499777-85-4
1-(tert-butylaminosulfonylphenyl)-4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazole

Guidance literature:: Multi-step reaction with 3 steps

1: 100 percent / toluene / 24 h / 110 °C

2: 87 percent / K₂CO₃ / methanol; 1,2-dimethoxy-ethane / 3 h / Heating

3: 82 percent / N-chlorosuccinimide / acetonitrile / 24 h / 81 °C

With N-chloro-succinimide; potassium carbonate; In methanol; 1,2-dimethoxyethane; toluene; acetonitrile;
DOI:10.1021/jm030765s

Reference yield:

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

: 499777-85-4
1-(tert-butylaminosulfonylphenyl)-4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazole

Guidance literature:: Multi-step reaction with 5 steps

1: 70 percent / 1,2-dimethoxy-ethane / 5 h / Heating

2: 89 percent / aq. KOH / methanol / 4 h / 100 °C

3: 100 percent / toluene / 24 h / 110 °C

4: 87 percent / K₂CO₃ / methanol; 1,2-dimethoxy-ethane / 3 h / Heating

5: 82 percent / N-chlorosuccinimide / acetonitrile / 24 h / 81 °C

With potassium hydroxide; N-chloro-succinimide; potassium carbonate; In methanol; 1,2-dimethoxyethane; toluene; acetonitrile;
DOI:10.1021/jm030765s