Benzenesulfonamide, 4-methyl-N-2-propenyl-N-2-propynyl-

Base Information

• Chemical Name: Benzenesulfonamide, 4-methyl-N-2-propenyl-N-2-propynyl-
• CAS No.: 133886-40-5
• Molecular Formula: C13H15NO2S
• Molecular Weight: 249.334
• DSSTox Substance ID: DTXSID40427772
• Nikkaji Number: J728.904I
• Wikidata: Q82240466
• Mol file: 133886-40-5.mol

Synonyms:133886-40-5;Benzenesulfonamide, 4-methyl-N-2-propenyl-N-2-propynyl-;Allylpropargyltosylamine;4-methyl-N-prop-2-enyl-N-prop-2-ynylbenzenesulfonamide;SCHEMBL6776106;DTXSID40427772;QITLNHICIUWDTD-UHFFFAOYSA-N;AQ-917/42754681;N-allyl-4-methyl-N-(2-propynyl)benzenesulfonamide;N-Allyl-4-methyl-N-(prop-2-yn-1-yl)benzenesulfonamide;N-(2-propenyl)-N-(2-propynyl)-4-methylphenylsulfonamide

Chemical Property of Benzenesulfonamide, 4-methyl-N-2-propenyl-N-2-propynyl-

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 249.08234989
• Heavy Atom Count: 17
• Complexity: 391

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)CC#C

Technology Process of Benzenesulfonamide, 4-methyl-N-2-propenyl-N-2-propynyl-

There total 11 articles about Benzenesulfonamide, 4-methyl-N-2-propenyl-N-2-propynyl- 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%

4-methyl-N-(2-propenyl)benzenesulfonamide (50487-71-3) + propargyl bromide (106-96-7) → N-tosyl-N-allylpropargylamine (133886-40-5)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; toluene; at 20 ℃; Inert atmosphere;

DOI:10.1055/s-0037-1611673

Reference yield: 99.0%

4-methyl-N-prop-2-ynylbenzenesulfonamide (55022-46-3) + allyl bromide (106-95-6) → N-tosyl-N-allylpropargylamine (133886-40-5)

Guidance literature:

With potassium carbonate; In acetonitrile; at 20 ℃; for 72h;

DOI:10.1002/anie.201806693

Reference yield: 88.0%

allylpropargylamine (42268-68-8) + p-toluenesulfonyl chloride (98-59-9) → N-tosyl-N-allylpropargylamine (133886-40-5)

Guidance literature:

With pyridine;

DOI:10.1016/S0040-4039(00)60352-0

upstream raw materials:

allylpropargylamine

p-toluenesulfonyl chloride

4-methyl-N-(2-propenyl)benzenesulfonamide

propargyl bromide

Downstream raw materials:

Carbonic acid 4-[allyl-(toluene-4-sulfonyl)-amino]-1,1-dimethyl-but-2-ynyl ester methyl ester

N-allyl-N-(4-hydroxy-4-methylpent-2-yn-1-yl)-4-methylbenzenesulfonamide