N-isobutyl-4-nitrobenzenesulfonamide

Base Information

• Chemical Name: N-isobutyl-4-nitrobenzenesulfonamide
• CAS No.: 89840-80-2
• Molecular Formula: C10H14N2O4S
• Molecular Weight: 258.298
• European Community (EC) Number: 804-693-8
• DSSTox Substance ID: DTXSID30389390
• Wikidata: Q82185146
• Mol file: 89840-80-2.mol

Synonyms:N-isobutyl-4-nitrobenzenesulfonamide;89840-80-2;N-(2-methylpropyl)-4-nitrobenzenesulfonamide;Benzenesulfonamide, N-(2-methylpropyl)-4-nitro-;N-(2-methylpropyl)-4-nitrobenzene-1-sulfonamide;Oprea1_519331;Oprea1_619808;SCHEMBL1547978;DTXSID30389390;QIEVLZQUEZLVSY-UHFFFAOYSA-N;MFCD01212729;STK083513;AKOS003276266;SB81995;N-Isobutyl-N-(4-nitrophenylsulfonyl)amine;EN300-217789

Chemical Property of N-isobutyl-4-nitrobenzenesulfonamide

Chemical Property:

• PSA: 100.37000
• LogP: 3.52400
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 258.06742811
• Heavy Atom Count: 17
• Complexity: 348

Purity/Quality:

99.9% ^*data from raw suppliers

N-(2-METHYLPROPYL)-4-NITROBENZENE-1-SULFONAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-isobutyl-4-nitrobenzenesulfonamide

There total 2 articles about N-isobutyl-4-nitrobenzenesulfonamide 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: 77.0%

isobutylamine (78-81-9) + 4-Nitrobenzenesulfonyl chloride (98-74-8) → N-isobutyl-4-nitrobenzenesulfonamide (89840-80-2)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 20 ℃; for 2h; Schlenk technique;

DOI:10.1002/chem.201301595

Reference yield: 70.0%

→ N-isobutyl-4-nitrobenzenesulfonamide (89840-80-2)

Guidance literature:

Reference yield: 86.0%

N-isobutyl-4-nitrobenzenesulfonamide (89840-80-2) → 4-amino-N-isobutylbenzenesulfonamide (53668-36-3)

Guidance literature:

With hydrogenchloride; tin; In ethanol; water; Reflux;

DOI:10.1016/j.ejmech.2015.10.050

upstream raw materials:

isobutylamine

4-Nitrobenzenesulfonyl chloride

Downstream raw materials:

[Isobutyl-(4-nitro-benzenesulfonyl)-amino]-acetic acid ethyl ester

N-isobutyl-N-(4-nitrophenylsulfonyl)aminoacetic acid

N-isobutyl-N-{2-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-piperidin-1-yl]-2-oxo-ethyl}-4-nitro-benzenesulfonamide

N-hydroxy-2-[[4-nitrobenzenesulfonyl](isobutyl)amino]acetamide