N-Isopropyl-4-nitrobenzenesulfonamide

Base Information

• Chemical Name: N-Isopropyl-4-nitrobenzenesulfonamide
• CAS No.: 23530-48-5
• Molecular Formula: C9H12N2O4S
• Molecular Weight: 244.271
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID60366038
• Nikkaji Number: J1.680.681A
• Wikidata: Q82151093
• Mol file: 23530-48-5.mol

Synonyms:N-Isopropyl-4-nitrobenzenesulfonamide;23530-48-5;4-nitro-N-propan-2-ylbenzenesulfonamide;Benzenesulfonamide, N-(1-methylethyl)-4-nitro-;Cambridge id 5181757;Oprea1_128372;SCHEMBL8575008;DTXSID60366038;IMRZQROLAZHXHR-UHFFFAOYSA-N;YAA53048;4-Nitro-N-isopropylbenzenesulfonamide;MFCD00458973;STK093369;AKOS002969198;N-isopropyl-4-nitro-benzenesulfonamide;SB77300;AS-67005;4-nitro-N-(propan-2-yl)benzenesulfonamide;CS-0061044;4-nitro-N-(propan-2-yl)benzene-1-sulfonamide;W18396;SR-01000197780;SR-01000197780-1;Z45497590

Chemical Property of N-Isopropyl-4-nitrobenzenesulfonamide

Chemical Property:

• Melting Point: 112-113 °C
• Boiling Point: 388.1±44.0 °C(Predicted)
• PKA: 10.69±0.50(Predicted)
• PSA: 100.37000
• Density: 1.318±0.06 g/cm3(Predicted)
• LogP: 3.27640
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 244.05177804
• Heavy Atom Count: 16
• Complexity: 334

Purity/Quality:

97% ^*data from raw suppliers

n-Isopropyl-4-nitrobenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-Isopropyl-4-nitrobenzenesulfonamide

There total 2 articles about N-Isopropyl-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: 96.0%

isopropylamine (75-31-0) + 4-Nitrobenzenesulfonyl chloride (98-74-8) → N-isopropyl-4-nitrobenzenesulfonamide (23530-48-5)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 4h;

Reference yield: 10.0%

succinic acid anhydride (108-30-5) + 2-iodo-propane (75-30-9) + p-nitrobenzenesulfonamide (6325-93-5) → N-isopropyl-4-nitrobenzenesulfonamide (23530-48-5)

Guidance literature:

Multistep reaction.;

DOI:10.1021/ol0163124

Reference yield: 97.0%

N-isopropyl-4-nitrobenzenesulfonamide (23530-48-5) → sulfanilic acid N-(1-methylethyl) amide (53668-35-2)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 30 ℃; under 30003 Torr;

DOI:10.1016/j.bmc.2010.06.038

upstream raw materials:

isopropylamine

4-Nitrobenzenesulfonyl chloride

succinic acid anhydride

2-iodo-propane

Downstream raw materials:

N-(2,4-Dinitro-phenylsulfanyl)-N-isopropyl-4-nitro-benzenesulfonamide

N-Isopropyl-4-nitro-N-phenylsulfanyl-benzenesulfonamide

p-nitrobenzenesulfonamide

C₉H₁₁ClN₂O₄S