1-(2,4,6-Triisopropylbenzenesulfonyl)-4-nitroimidazole

Base Information

• Chemical Name: 1-(2,4,6-Triisopropylbenzenesulfonyl)-4-nitroimidazole
• CAS No.: 63734-76-9
• Molecular Formula: C18H25N3O4S
• Molecular Weight: 379.47400
• DSSTox Substance ID: DTXSID00397760
• Nikkaji Number: J2.057.403H
• Wikidata: Q72496455

Synonyms:63734-76-9;1-(2,4,6-Triisopropylbenzenesulfonyl)-4-nitroimidazole;4-nitro-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole;4-Nitro-1-((2,4,6-triisopropylphenyl)sulfonyl)-1H-imidazole;DTXSID00397760;FT-0723087;1-(2,4,6-Triisopropylphenylsulfonyl)-4-nitro-1H-imidazole;4-nitro-1-(2,4,6-triisopropylphenylsulfonyl)-1H-imidazole;4-nitro-1-[2,4,6-tris(propan-2-yl)benzenesulfonyl]-1H-imidazole;1-(2,4,6-Triisopropylbenzenesulfonyl)-4-nitroimidazole, purum, >=98.0% (HPLC)

Chemical Property of 1-(2,4,6-Triisopropylbenzenesulfonyl)-4-nitroimidazole

Chemical Property:

• Vapor Pressure: 1.55E-10mmHg at 25°C
• Melting Point: 157-159oC (sealed tube)
• Boiling Point: 510.4oC at 760 mmHg
• Flash Point: 262.5oC
• PSA: 106.16000
• Density: 1.25g/cm3
• LogP: 6.00250
• Storage Temp.: −20°C
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 379.15657746
• Heavy Atom Count: 26
• Complexity: 577

Purity/Quality:

96% ^*data from raw suppliers

1-(2,4,6-TRIISOPROPYLBENZENESULFONYL)-4-NITROIMIDAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N2C=C(N=C2)[N+](=O)[O-])C(C)C

Technology Process of 1-(2,4,6-Triisopropylbenzenesulfonyl)-4-nitroimidazole

There total 2 articles about 1-(2,4,6-Triisopropylbenzenesulfonyl)-4-nitroimidazole 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: 85.5%

2,4,6-triisopropylphenylsulfonyl chloride (6553-96-4) + 1H-4(5)-nitroimidazole (3034-38-6) → 4-nitro-1-(2,4,6-triisopropylbenzenesulfonyl)imidazole (63734-76-9)

Guidance literature:

With triethylamine; In dichloromethane; at 25 ℃; for 24h;

DOI:10.1016/S0040-4020(01)85642-8

Reference yield:

→ 4-nitro-1-(2,4,6-triisopropylbenzenesulfonyl)imidazole (63734-76-9)

Guidance literature:

2,4,6-Triisopropylphenylsulfonylchlorid, 4(5)-Nitroimidazol;

DOI:10.1016/S0040-4039(00)78935-0

Reference yield:

cyclobutylamine (2516-34-9) + 4-nitro-1-(2,4,6-triisopropylbenzenesulfonyl)imidazole (63734-76-9) → N-cyclobutyl-2,4,6-triisopropyl-benzenesulfonamide

Guidance literature:

DOI:10.1021/ol049416y

upstream raw materials:

2,4,6-triisopropylphenylsulfonyl chloride

1H-4⁽⁵⁾-nitroimidazole

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