Benzenesulfonamide, 4-methyl-N-(3-phenyl-2-propynyl)-

Base Information

• Chemical Name: Benzenesulfonamide, 4-methyl-N-(3-phenyl-2-propynyl)-
• CAS No.: 305837-95-0
• Molecular Formula: C16H15NO2S
• Molecular Weight: 285.367
• DSSTox Substance ID: DTXSID30443840
• Nikkaji Number: J1.396.708C
• Wikidata: Q82261810
• Mol file: 305837-95-0.mol

Synonyms:305837-95-0;Benzenesulfonamide, 4-methyl-N-(3-phenyl-2-propynyl)-;3-Phenyl-2-propynyltosylamine;DTXSID30443840

Chemical Property of Benzenesulfonamide, 4-methyl-N-(3-phenyl-2-propynyl)-

Chemical Property:

• Boiling Point: 451.0±55.0 °C(Predicted)
• PSA: 54.55000
• Density: 1.26±0.1 g/cm3(Predicted)
• LogP: 3.79670
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 285.08234989
• Heavy Atom Count: 20
• Complexity: 452

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC#CC2=CC=CC=C2

Technology Process of Benzenesulfonamide, 4-methyl-N-(3-phenyl-2-propynyl)-

There total 20 articles about Benzenesulfonamide, 4-methyl-N-(3-phenyl-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: 94.0%

N-[(tert-butoxy)carbonyl]-4-methylbenzenesulfonamide (18303-04-3) + 1-bromo-3-phenylprop-2-yne (1794-48-5) → 4-methyl-N-(3-phenylprop-2-yn-1-yl)benzenesulfonamide (305837-95-0)

Guidance literature:

N-[(tert-butoxy)carbonyl]-4-methylbenzenesulfonamide; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 4h;

1-bromo-3-phenylprop-2-yne; In N,N-dimethyl-formamide; at 20 ℃; for 10h;

Reference yield: 90.0%

iodobenzene (591-50-4) + 4-methyl-N-prop-2-ynylbenzenesulfonamide (55022-46-3) → 4-methyl-N-(3-phenylprop-2-yn-1-yl)benzenesulfonamide (305837-95-0)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In N,N-dimethyl-formamide; at 50 ℃; for 19h; Inert atmosphere;

DOI:10.1002/chem.201806083

Reference yield: 90.0%

(N-(2,2-dimethyl-propionyl)-4-methyl-benzenesulfonamide) (81005-27-8) + 1-bromo-3-phenylprop-2-yne (1794-48-5) → 4-methyl-N-(3-phenylprop-2-yn-1-yl)benzenesulfonamide (305837-95-0)

Guidance literature:

(N-(2,2-dimethyl-propionyl)-4-methyl-benzenesulfonamide); With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 4h;

1-bromo-3-phenylprop-2-yne; In N,N-dimethyl-formamide;

DOI:10.1021/ja3087592

upstream raw materials:

3-Phenyl-2-propyn-1-ol

3-phenyl-2-propyn-1-yl methanesulfonate

N-tert-butoxylcarbonyl-N-(3-phenylprop-2-ynyl)-(4-toluene)sulfonamide

toluene-4-sulfonamide

Downstream raw materials:

4-methyl-N-(2-methylallyl)-N-(3-phenylprop-2-yn-1-yl)benzenesulfonamide

N-(but-3-yn-1-yl)-4-methyl-N-(3-phenylprop-2-yn-1-yl)-benzenesulfonamide

ethyl (2E)-3-{[(4-methylphenyl)sulfonyl](3-phenylprop-2-yn-1-yl)amino}but-2-enoate

2,3-dibutyl-4-phenyl-6-tosyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine