2-Allylbenzenesulfonamide

Base Information

• Chemical Name: 2-Allylbenzenesulfonamide
• CAS No.: 291514-04-0
• Molecular Formula: C9H11 N O2 S
• Molecular Weight: 197.258
• DSSTox Substance ID: DTXSID40458324
• Nikkaji Number: J1.422.296K
• Wikidata: Q82281539
• Mol file: 291514-04-0.mol

Synonyms:2-Allylbenzenesulfonamide;291514-04-0;2-prop-2-enylbenzenesulfonamide;o-allylbenzene sulfonamide;SCHEMBL2298623;2-(2-propenyl)benzenesulfonamide;DTXSID40458324;Benzenesulfonamide,2-(2-propenyl)-(9ci)

Chemical Property of 2-Allylbenzenesulfonamide

Chemical Property:

• PSA: 68.54000
• LogP: 2.84360
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 197.05104977
• Heavy Atom Count: 13
• Complexity: 266

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCC1=CC=CC=C1S(=O)(=O)N

Technology Process of 2-Allylbenzenesulfonamide

There total 5 articles about 2-Allylbenzenesulfonamide 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%

2-allyl-N-tert-butyl-benzenesulfonamide → 2-allylbenzenesulfonamide (291514-04-0)

Guidance literature:

With methoxybenzene; trifluoroacetic acid; at 0 - 20 ℃;

DOI:10.1016/j.bmcl.2010.10.006

Reference yield: 85.0%

N-(1,1-dimethylpropyl)-2-(2-propenyl)benzenesulfonamide (850037-07-9) → 2-allylbenzenesulfonamide (291514-04-0)

Guidance literature:

With trifluoroacetic acid; at 0 ℃; for 3.5h;

Reference yield: 70.0%

N-tert-butylbenzenesulfonamide (2512-24-5) + allyl bromide (106-95-6) → 2-allylbenzenesulfonamide (291514-04-0)

Guidance literature:

N-tert-butylbenzenesulfonamide; With n-butyllithium; In hexane; at -60 ℃; for 3h;

allyl bromide; In tetrahydrofuran; hexane; at -30 ℃; for 3h;

DOI:10.1021/jo048990k

upstream raw materials:

N-tert-butylbenzenesulfonamide

allyl bromide

N-(1,1-dimethylpropyl)-2-(2-propenyl)benzenesulfonamide

Downstream raw materials:

SO₂NH₂C₆H₄C₂HIC₆H₅CH₂

C₁₉H₂₈N₂O₅S