Benzenesulfonamide, N-ethynyl-4-methyl-N-(phenylmethyl)-

Base Information

• Chemical Name: Benzenesulfonamide, N-ethynyl-4-methyl-N-(phenylmethyl)-
• CAS No.: 205885-39-8
• Molecular Formula: C16H15NO2S
• Molecular Weight: 285.367
• DSSTox Substance ID: DTXSID00451871
• Nikkaji Number: J1.378.556B
• Wikidata: Q82272147
• Mol file: 205885-39-8.mol

Synonyms:205885-39-8;Benzenesulfonamide, N-ethynyl-4-methyl-N-(phenylmethyl)-;N-BENZYL-N-ETHYNYL-4-METHYLBENZENESULFONAMIDE;DTXSID00451871;CS-0311599;10.14272/VLGDAJJQNOQJRW-UHFFFAOYSA-N;doi:10.14272/VLGDAJJQNOQJRW-UHFFFAOYSA-N

Chemical Property of Benzenesulfonamide, N-ethynyl-4-methyl-N-(phenylmethyl)-

Chemical Property:

• PSA: 45.76000
• LogP: 3.85740
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 285.08234989
• Heavy Atom Count: 20
• Complexity: 443

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)N(CC2=CC=CC=C2)C#C

Technology Process of Benzenesulfonamide, N-ethynyl-4-methyl-N-(phenylmethyl)-

There total 13 articles about Benzenesulfonamide, N-ethynyl-4-methyl-N-(phenylmethyl)- 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: 96.0%

N-benzyl-N-trimethylsilanylethynyl-4-methylbenzenesulphonamide (205885-29-6) → N-benzyl-N-ethynyl-4-methyl-benzenesulfonamide (205885-39-8)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 0 ℃; for 0.166667h;

DOI:10.1016/S0040-4020(00)00773-0

Reference yield: 91.0%

N-benzyl-4-methyl-N-((triisopropylsilyl)ethynyl)benzene sulfonamide (683246-83-5) → N-benzyl-N-ethynyl-4-methyl-benzenesulfonamide (205885-39-8)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at -18 - 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/ol802477d

Reference yield: 91.0%

(E)-N-benzyl-N-(1,2-dichlorovinyl)-4-methylbenzenesulfonamide → N-benzyl-N-ethynyl-4-methyl-benzenesulfonamide (205885-39-8)

Guidance literature:

(E)-N-benzyl-N-(1,2-dichlorovinyl)-4-methylbenzenesulfonamide; With phenyllithium; In tetrahydrofuran; at -78 ℃; Inert atmosphere;

With water; In tetrahydrofuran; diethyl ether; at -78 - 20 ℃; Inert atmosphere;

DOI:10.1039/c4cc07876d

upstream raw materials:

N-benzyl-N-trimethylsilanylethynyl-4-methylbenzenesulphonamide

N-(2,2-dichlorovinyl)-N-benzyl-4-methyl-benzenesulfonamide

N-benzyl-4-methyl-N-((triisopropylsilyl)ethynyl)benzene sulfonamide

N-benzyl-p-toluenesulfonamide