N,N-diethyl-4-nitrobenzenesulfonamide

Base Information

• Chemical Name: N,N-diethyl-4-nitrobenzenesulfonamide
• CAS No.: 89840-82-4
• Molecular Formula: C10H14N2O4S
• Molecular Weight: 258.298
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID90353572
• Nikkaji Number: J1.952.146J
• Wikidata: Q82131237
• Mol file: 89840-82-4.mol

Synonyms:N,N-diethyl-4-nitrobenzenesulfonamide;89840-82-4;N,N-Diethyl 4-nitrobenzenesulfonamide;N,N-Diethyl-4-nitro-benzenesulfonamide;Oprea1_683679;CBDivE_002307;SCHEMBL7650160;DTXSID90353572;MFCD00451495;STK022831;AKOS001605092;4-nitro-N,N-diethyl-benzenesulfonamide;SB81341;NCGC00332113-01;BS-23931;BB 0220373;CS-0212871;AB01326001-02;A861032;SR-01000407421;SR-01000407421-1

Chemical Property of N,N-diethyl-4-nitrobenzenesulfonamide

Chemical Property:

• PSA: 91.58000
• LogP: 3.22930
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 258.06742811
• Heavy Atom Count: 17
• Complexity: 346

Purity/Quality:

97% ^*data from raw suppliers

N,N-diethyl-4-nitrobenzenesulfonamide AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N,N-diethyl-4-nitrobenzenesulfonamide

There total 5 articles about N,N-diethyl-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: 89.0%

diethylamine (109-89-7) + 4-Nitrobenzenesulfonyl chloride (98-74-8) → N,N-Diethyl-4-nitro-benzenesulfonamide (89840-82-4)

Guidance literature:

With triethylamine; In dichloromethane;

DOI:10.1016/j.bmcl.2021.128007

Reference yield: 65.0%

triethylamine (121-44-8) + 4-Nitrobenzenesulfonyl chloride (98-74-8) → N,N-Diethyl-4-nitro-benzenesulfonamide (89840-82-4)

Guidance literature:

With dipotassium hydrogenphosphate; oxygen; eosin y; In water; acetonitrile; at 20 ℃; Irradiation; Green chemistry;

DOI:10.1055/s-0036-1588828

Reference yield: 55.0%

4-iodobenzoic acid ethyl ester (51934-41-9) + diethylamine (109-89-7) + potassium triisopropylsilane-thiolate → N,N-Diethyl-4-nitro-benzenesulfonamide (89840-82-4)

Guidance literature:

4-iodobenzoic acid ethyl ester; potassium triisopropylsilane-thiolate; With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In toluene; at 90 ℃; for 1h;

With sulfuryl dichloride; potassium nitrate; In acetonitrile; at 0 ℃;

diethylamine; In acetonitrile;

DOI:10.1016/j.tetlet.2003.08.073

upstream raw materials:

diethylamine

4-Nitrobenzenesulfonyl chloride

2-(4-nitrobenzenesulfonyl)-4,5-dichloropyridazin-3-one

4-iodobenzoic acid ethyl ester

Downstream raw materials:

4-(2,2,2-trifluoroethoxy)-N,N-diethylbenzenesulfonamide

N-(4-(N,N-diethylsulfamoyl)phenyl)benzamide

N,N-diethyl-1-methyl-1H-indole-5-sulfonamide

C₁₉H₂₃Cl₃N₂O₅S₂