N-Ethyl-P-toluenesulfonamide

Base Information

• Chemical Name: N-Ethyl-P-toluenesulfonamide
• CAS No.: 80-39-7
• Deprecated CAS: 825629-31-0
• Molecular Formula: C9H13NO2S
• Molecular Weight: 199.274
• Hs Code.: 29350090
• European Community (EC) Number: 232-465-2,201-275-1
• NSC Number: 68803
• UNII: 992S798SJB
• DSSTox Substance ID: DTXSID5025310
• Nikkaji Number: J45.867H
• Wikidata: Q27272165
• ChEMBL ID: CHEMBL1492809
• Mol file: 80-39-7.mol

Synonyms:N-ethyl-4-toluenesulfonamide;N-ethyl-4-toluenesulfonamide, lithium salt;N-ethyl-4-toluenesulfonamide, potassium salt

Chemical Property of N-Ethyl-P-toluenesulfonamide

Chemical Property:

• Appearance/Colour: off-white crystalline solid
• Melting Point: 63-65 °C(lit.)
• Refractive Index: 1.5270 (estimate)
• Boiling Point: 311 °C at 760 mmHg
• PKA: 11.86±0.50(Predicted)
• Flash Point: 141.9 °C
• PSA: 54.55000
• Density: 1.153 g/cm³
• LogP: 2.76490
• Storage Temp.: Store below +30°C.
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: <0.01 g/100 mL at 18℃
• 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: 235

Purity/Quality:

99% Min. ^*data from raw suppliers

N-?Ethyl-?p-?toluenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37

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=C(C=C1)C
• Uses: N-Ethyl-4-toluene sulfonamide is a resin carrier in dental materials used for isolating cavities below restorations; plasticizer in polyvinyl alcohollacquers, polyamides, cellulose acetate, etc. N-?Ethyl-?p-?toluenesulfonamide is a reagent used in the sulfonamidation of imidazopyridines.

Technology Process of N-Ethyl-P-toluenesulfonamide

There total 24 articles about N-Ethyl-P-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: 95.0%

ethylamine (75-04-7,85404-22-4) + p-toluenesulfonyl chloride (98-59-9) → N-ethyl-4-methyl-benzenesulfonamide (80-39-7)

Guidance literature:

In ethyl acetate; at 0 - 20 ℃; for 1h;

DOI:10.1039/c6cc06111g

Reference yield: 95.0%

N-fluoro-N-ethyl-4-methylbenzenesulfonamide → N-ethyl-4-methyl-benzenesulfonamide (80-39-7)

Guidance literature:

With dimanganese decacarbonyl; trimethoxysilane; In cyclohexane; at 20 ℃; for 12h; Schlenk technique; Inert atmosphere; Irradiation;

DOI:10.1021/acs.orglett.0c03916

Reference yield: 93.0%

toluene-4-sulfonamide (70-55-3) + ethylamine (75-04-7,85404-22-4) → N-ethyl-4-methyl-benzenesulfonamide (80-39-7)

Guidance literature:

In water; ethyl acetate; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/ol201175g

upstream raw materials:

toluene-4-sulfonamide

ethyl ester of p-toluenesulfonic acid

ethylamine

p-toluenesulfonyl chloride

Downstream raw materials:

N-ethyl-N-butyl-toluene-4-sulfonamide

N,N-diphenyl-p-toluenesulfonamide

N,N-diethyl-4-methylbenzenesulfonamide

C₁₀H₁₃ClN₂O₅S₂

Refernces

• 1、 Ji, Yun-Xing,Li, Jinxia,Li, Chun-Min,Qu, Shuanglin,Zhang, Bo. "Manganese-Catalyzed N-F Bond Activation for Hydroamination and Carboamination of Alkenes". supporting information. p. 207 - 212. Retrieved 2021/01/09.
• 2、 Hosseini, Raziyeh,Mohammadiannejad, Kazem,Ranjbar-Karimi, Reza. "Synthesis of N-substituted sulfonamides containing perhalopyridine moiety as bio-active candidates". . . Retrieved 2020/03/18.