2-Ethylbenzene-1-sulfonamide

Base Information

• Chemical Name: 2-Ethylbenzene-1-sulfonamide
• CAS No.: 85-92-7
• Molecular Formula: C8H11 N O2 S
• Molecular Weight: 185.247
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID80576975
• Wikidata: Q82466868
• Mol file: 85-92-7.mol

Synonyms:2-Ethylbenzenesulfonamide;85-92-7;2-ethylbenzene-1-sulfonamide;Benzenesulfonamide,2-ethyl-;Benzenesulfonamide, 2-ethyl-;ethyl-benzenesulfonamide;SCHEMBL301742;DTXSID80576975;CS-0237857;EN300-187615;G54793

Chemical Property of 2-Ethylbenzene-1-sulfonamide

Chemical Property:

• PSA: 68.54000
• LogP: 2.67750
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 185.05104977
• Heavy Atom Count: 12
• Complexity: 230

Purity/Quality:

99% ^*data from raw suppliers

2-Ethylbenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Ethylbenzene-1-sulfonamide

There total 11 articles about 2-Ethylbenzene-1-sulfonamide 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: 98.0%

N-(tert-butyl)-2-ethylbenzenesulfonamide (769196-04-5) → 2-Ethylbenzenesulfonamide (85-92-7)

Guidance literature:

With trifluoroacetic acid; In ethyl acetate; methoxybenzene; at 0 ℃; for 24h;

DOI:10.1002/hlca.200490148

Reference yield: 92.0%

2-ethylbenzenesulfonyl chloride (34586-43-1) → 2-Ethylbenzenesulfonamide (85-92-7)

Guidance literature:

With ammonia; In tetrahydrofuran; water; at 0 ℃; for 0.1h;

DOI:10.1021/jacs.9b11608

Reference yield: 72.0%

2-ethylbenzenesulfonyl azide (1351416-37-9) → 2-Ethylbenzenesulfonamide (85-92-7) + (S)-3-methyl-2,3-dihydrobenzo[d]isothiazoline 1,1-dioxide (130973-57-8)

Guidance literature:

With C₃₅H₃₅ClIrN₄O₄; at 20 ℃; for 16h; pH=6;

upstream raw materials:

N-(tert-butyl)-2-ethylbenzenesulfonamide

N-tert-butylbenzenesulfonamide

(2-Ethylphenyl)tributyltin

2-ethylbenzenesulfonyl azide

Downstream raw materials:

(±)-3-methyl-1,2-benzisothiazoline 1,1-dioxide

2-ethylbenzenesulfonyl azide