Benzeneethanesulfonamide, N-methyl-

Base Information

• Chemical Name: Benzeneethanesulfonamide, N-methyl-
• CAS No.: 95339-74-5
• Molecular Formula: C9H13NO2S
• Molecular Weight: 199.274
• DSSTox Substance ID: DTXSID70462631
• Nikkaji Number: J478.513D
• Wikidata: Q82287191
• Mol file: 95339-74-5.mol

Synonyms:95339-74-5;n-Methyl-2-phenylethane-1-sulfonamide;Benzeneethanesulfonamide, N-methyl-;N-methyl-2-phenylethanesulfonamide;SCHEMBL6793104;DTXSID70462631;CS-0351615;EN300-680680

Chemical Property of Benzeneethanesulfonamide, N-methyl-

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 199.06669983
• Heavy Atom Count: 13
• Complexity: 225

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNS(=O)(=O)CCC1=CC=CC=C1

Technology Process of Benzeneethanesulfonamide, N-methyl-

There total 6 articles about Benzeneethanesulfonamide, N-methyl- 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-phenylethylsulfonyl chloride (4025-71-2) + methylamine (74-89-5) → N-methyl-2-phenylethane-1-sulfonamide (95339-74-5)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 25 ℃; for 12h;

DOI:10.1002/chem.201602138

Reference yield: 55.0%

N-methyl ethene sulphonamide (27325-97-9) + phenylboronic acid (98-80-6) → N-methyl-2-phenylethane-1-sulfonamide (95339-74-5)

Guidance literature:

With [Rh(OH)(cod)]2; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In 1,4-dioxane; water; at 120 ℃; for 18h; Sealed tube;

DOI:10.1016/j.tetlet.2011.08.108

Reference yield: 24.0%

N-methyl ethene sulphonamide (27325-97-9) + potassium phenyltrifluoborate → N-methyl-2-phenylethane-1-sulfonamide (95339-74-5)

Guidance literature:

With [Rh(OH)(cod)]2; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In 1,4-dioxane; water; at 120 ℃; for 18h; Sealed tube;

DOI:10.1016/j.tetlet.2011.08.108

upstream raw materials:

2-phenylethylsulfonyl chloride

methylamine

N-methyl ethene sulphonamide

2-phenyl-4,4,5,5-tetramethyl-1,3,2-dioxoborole

Refernces

• 1、 Zilaout, Hicham,Van Den Hoogenband, Adri,De Vries, Jelle,Lange, Jos H.M.,Terpstra, Jan Willem. "The first examples of rhodium-catalyzed 1,4-conjugate addition reactions of arylboronic acids with ethenesulfonamides". experimental part. p. 5934 - 5939. Retrieved 2011/11/29.