N-Ethyl-O-toluenesulfonamide

Base Information

• Chemical Name: N-Ethyl-O-toluenesulfonamide
• CAS No.: 1077-56-1
• Molecular Formula: C₉H₁₃NO₂S
• Molecular Weight: 199.274
• Hs Code.: 2935009090
• European Community (EC) Number: 214-073-3
• UNII: 6Y8J5WET03
• DSSTox Substance ID: DTXSID5052416
• Nikkaji Number: J45.868F
• Wikidata: Q27265713
• Mol file: 1077-56-1.mol

Synonyms:N-ETHYL-O-TOLUENESULFONAMIDE;1077-56-1;N-Ethyl-2-methylbenzenesulfonamide;Benzenesulfonamide, N-ethyl-2-methyl-;N-Ethyltoluene-2-sulphonamide;N-ETHYL-O-TOLUENESULFAMIDE;n-e-o/ptsa;N-ethyl-2-methylbenzene-1-sulfonamide;o-Toluenesulfonamide, N-ethyl-;HSDB 5782;O-TOLUENE ETHYL SULFONAMIDE;UNII-6Y8J5WET03;6Y8J5WET03;EINECS 214-073-3;N-Ethyl-2-toluenesulfonamide;SCHEMBL126986;DTXSID5052416;N- ethyltoluene- 2- sulphonamide;AMY37178;N-Ethyl-o(or p)-toluenesulfonamide;Bencenosulfonamida, N-etil-2-metil-;MFCD00059226;AKOS006275681;AS-59292;N-ETHYL-O-TOLUENESULFONAMIDE [HSDB];CS-0440504;FT-0652117;D88149;EN300-1452505;W-108736;Q27265713

Chemical Property of N-Ethyl-O-toluenesulfonamide

Chemical Property:

• Vapor Pressure: 0.00039mmHg at 25°C
• Melting Point: 344-350°C(lit.)
• Refractive Index: 1.526
• Boiling Point: 317.2 °C at 760 mmHg
• PKA: 11.71±0.40(Predicted)
• Flash Point: 145.7 °C
• PSA: 54.55000
• Density: 1.153 g/cm³
• LogP: 2.76490
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 199.06669983
• Heavy Atom Count: 13
• Complexity: 243

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Sulfonamides
• Canonical SMILES: CCNS(=O)(=O)C1=CC=CC=C1C

Technology Process of N-Ethyl-O-toluenesulfonamide

There total 1 articles about N-Ethyl-O-toluenesulfonamide 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:

ethanamine hydrochloride (557-66-4) + Toluene-2-sulfonyl chloride (133-59-5) → N-Ethyl(o-methyl)benzenesulfonamide (1077-56-1)

Guidance literature:

With potassium hydroxide; In dichloromethane; water; at 20 ℃; for 1h;

DOI:10.1002/chem.201303623

Reference yield: 22.0%

N-Ethyl(o-methyl)benzenesulfonamide (1077-56-1) → 2-ethyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide (18712-20-4) + 2-ethyl-1-oxo-1,2-dihydro-1λ4-benzo[d]isothiazol-3-one

Guidance literature:

With [bis(acetoxy)iodo]benzene; iodine; In 1,2-dichloro-ethane; at 25 - 35 ℃; for 2h; irradiation with high-pressure mercury lamp;

DOI:10.1016/S0040-4020(99)00974-6

Reference yield: 12.0%

N-Ethyl(o-methyl)benzenesulfonamide (1077-56-1) → 2-ethyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide (18712-20-4)

Guidance literature:

With chromium(VI) oxide; periodic acid; In acetonitrile; at 22 ℃; for 8h;

DOI:10.1016/j.tet.2006.05.038

upstream raw materials:

ethanamine hydrochloride

Toluene-2-sulfonyl chloride

Downstream raw materials:

N-Acetyl-N-aethyl-o-toluolsulfonamid

2-ethyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide

Refernces