N-allyl-4-aminobenzenesulfonamide

Base Information

• Chemical Name: N-allyl-4-aminobenzenesulfonamide
• CAS No.: 117057-51-9
• Molecular Formula: C₉H₁₂N₂O₂S
• Molecular Weight: 212.272
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID40388091
• Wikidata: Q82182813
• Mol file: 117057-51-9.mol

Synonyms:N-allyl-4-aminobenzenesulfonamide;117057-51-9;4-amino-N-prop-2-enylbenzenesulfonamide;N-ALLYL-4-AMINO-BENZENESULFONAMIDE;4-amino-N-(prop-2-en-1-yl)benzenesulfonamide;SCHEMBL4775427;DTXSID40388091;BBL014312;MFCD05666703;STK413439;AKOS000268288;VS-04263;CS-0313306;4-amino-N-(prop-2-en-1-yl)benzene-1-sulfonamide;AN-329/42955198;SR-01000301679;SR-01000301679-1

Chemical Property of N-allyl-4-aminobenzenesulfonamide

Chemical Property:

• Vapor Pressure: 5.19E-06mmHg at 25°C
• Refractive Index: 1.577
• Boiling Point: 381.1°C at 760 mmHg
• Flash Point: 184.3°C
• PSA: 80.57000
• Density: 1.245g/cm³
• LogP: 2.78600
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 212.06194880
• Heavy Atom Count: 14
• Complexity: 274

Purity/Quality:

98%min ^*data from raw suppliers

N-Allyl-4-aminobenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-allyl-4-aminobenzenesulfonamide

There total 4 articles about N-allyl-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:

4-Nitrobenzenesulfonyl chloride (98-74-8) → N-Allyl-4-aminobenzenesulfonamide (117057-51-9)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / dichloromethane / Reflux

2: hydrogenchloride; tin / ethanol; water / Reflux

With pyridine; hydrogenchloride; tin; In ethanol; dichloromethane; water;

DOI:10.1016/j.ejmech.2015.10.050

Reference yield:

N-acetyl-sulfanilic acid allylamide (101568-44-9) → N-Allyl-4-aminobenzenesulfonamide (117057-51-9)

Guidance literature:

With hydrogenchloride;

Reference yield:

p-acetylaminobenzenesulfonyl chloride (121-60-8) → N-Allyl-4-aminobenzenesulfonamide (117057-51-9)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate; water

2: aqueous hydrochloric acid

With hydrogenchloride; water; potassium carbonate;

upstream raw materials:

N-acetyl-sulfanilic acid allylamide

p-acetylaminobenzenesulfonyl chloride

4-Nitrobenzenesulfonyl chloride

Downstream raw materials:

N-benzoyl-sulfanilic acid allylamide