N,N-diallyl-4-aminobenzenesulfonamide

Base Information

• Chemical Name: N,N-diallyl-4-aminobenzenesulfonamide
• CAS No.: 193891-96-2
• Molecular Formula: C₁₂H₁₆N₂O₂S
• Molecular Weight: 252.337
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID60366715
• Wikidata: Q82152083
• Mol file: 193891-96-2.mol

Synonyms:N,N-diallyl-4-aminobenzenesulfonamide;193891-96-2;4-amino-N,N-bis(prop-2-enyl)benzenesulfonamide;N,N-DIALLYL-4-AMINO-BENZENESULFONAMIDE;SCHEMBL6379113;DTXSID60366715;HMS1598I10;STK123374;AKOS000268331;CS-0318352;4-amino-N,N-di(prop-2-en-1-yl)benzenesulfonamide;AN-329/42667727;SR-01000286386;SR-01000286386-1;F1618-0519

Chemical Property of N,N-diallyl-4-aminobenzenesulfonamide

Chemical Property:

• Boiling Point: 403.0±55.0 °C(Predicted)
• PKA: 1.76±0.10(Predicted)
• PSA: 71.78000
• Density: 1.182±0.06 g/cm3(Predicted)
• LogP: 3.29350
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 252.09324893
• Heavy Atom Count: 17
• Complexity: 341

Purity/Quality:

98%min ^*data from raw suppliers

N,N-Diallyl-4-aminobenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCN(CC=C)S(=O)(=O)C1=CC=C(C=C1)N

Technology Process of N,N-diallyl-4-aminobenzenesulfonamide

There total 2 articles about N,N-diallyl-4-aminobenzenesulfonamide 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: 99.0%

N,N-diallyl-(4-nitrobenzene)sulfonylamine (35735-57-0) → N,N-diallyl-4-aminobenzenesulfonamide (193891-96-2)

Guidance literature:

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

DOI:10.1016/j.ejmech.2015.10.050

Reference yield:

diallylamine (124-02-7) → N,N-diallyl-4-aminobenzenesulfonamide (193891-96-2)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / acetonitrile / 6 h / Reflux

2: hydrogenchloride; tin / ethanol; water / Reflux

With hydrogenchloride; tin; triethylamine; In ethanol; water; acetonitrile;

DOI:10.1016/j.ejmech.2015.10.050

Reference yield:

N,N-diallyl-4-aminobenzenesulfonamide (193891-96-2) + 4-phenylbenzoyl isothiocyanate (67132-17-6) → N-((4-(N,N-diallylsulfamoyl)phenyl)carbamothioyl)-[1,1'-biphenyl]-4-carboxamide

Guidance literature:

In acetone; Reflux;

DOI:10.1016/j.ejmech.2015.10.050

upstream raw materials:

N,N-diallyl-(4-nitrobenzene)sulfonylamine

diallylamine

Refernces