4-Ethoxybenzenesulfonamide

Base Information

• Chemical Name: 4-Ethoxybenzenesulfonamide
• CAS No.: 1132-19-0
• Molecular Formula: C8H11NO3S
• Molecular Weight: 201.246
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID10395555
• Nikkaji Number: J3.401.174E
• Wikidata: Q27454193
• Pharos Ligand ID: HU1STBTARN3G
• ChEMBL ID: CHEMBL3402958
• Mol file: 1132-19-0.mol

Synonyms:4-ethoxybenzenesulfonamide;1132-19-0;4-Ethoxy-benzenesulfonamide;4-ethoxybenzene-1-sulfonamide;CHEMBL3402958;3W8;IRGANOX1081;Oprea1_683049;Oprea1_871298;IFLab1_001901;SCHEMBL4706398;DTXSID10395555;ILKGEOVHANZEFC-UHFFFAOYSA-N;HMS1417G09;BAA13219;BDBM50066135;AKOS000122237;SB77989;FT-0745316;EN300-01184;A18088;AQ-390/05461052;Q27454193;Z45415565;F0433-0464

Chemical Property of 4-Ethoxybenzenesulfonamide

Chemical Property:

• Vapor Pressure: 2.15E-05mmHg at 25°C
• Refractive Index: 1.544
• Boiling Point: 360.9 °C at 760 mmHg
• Flash Point: 172.1 °C
• PSA: 77.77000
• Density: 1.266 g/cm³
• LogP: 2.51380
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 201.04596439
• Heavy Atom Count: 13
• Complexity: 237

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Ethoxybenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)S(=O)(=O)N

Technology Process of 4-Ethoxybenzenesulfonamide

There total 6 articles about 4-Ethoxybenzenesulfonamide 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: 64.0%

ethyl [3-mercapto-5-oxo-6-[2-(2-thienyl)vinyl]-1,2,4-triazin-4(5H)-yl]imidoformate + sulfanilamide (63-74-1) → N'-[3-mercapto-5-oxo-6-[2-(2-thienyl)vinyl]-1,2,4-triazin-4(5H)-yl]imidoformamide + 4-ethoxybenzenesulfonamide (1132-19-0)

Guidance literature:

With acetic acid; for 3h; Reflux;

DOI:10.1134/S1068162015040032

Reference yield: 60.0%

ethyl bromide (74-96-4) + 4-hydroxybenzenesulphonamide (1576-43-8) → 4-ethoxybenzenesulfonamide (1132-19-0)

Guidance literature:

4-hydroxybenzenesulphonamide; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 0.333333h; Inert atmosphere;

ethyl bromide; In N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.bmc.2015.02.027

Reference yield:

Phenetole (103-73-1) → 4-ethoxybenzenesulfonamide (1132-19-0)

Guidance literature:

With chlorosulphuric acid; chloroform; beim Eindampfen der Reaktionsloesung mit Ammoniumcarbonat;

DOI:10.1021/ja01860a049

upstream raw materials:

4-ethoxybenzenesulfonyl fluoride

Phenetole

4-ethoxybenzenesulphonyl chloride

ethyl bromide

Downstream raw materials:

(4-ethoxy-benzenesulfonyl)-carbamic acid ethyl ester

N-([(4-chlorophenyl)amino]carbonyl)-4-ethoxybenzenesulfonamide

N-(4-ethoxy-benzenesulfonyl)-N'-propyl-urea

N-(4-ethoxy-benzenesulfonyl)-N'-butyl-urea

Refernces

• 1、 Carta, Fabrizio,Di Cesare Mannelli, Lorenzo,Pinard, Melissa,Ghelardini, Carla,Scozzafava, Andrea,McKenna, Robert,Supuran, Claudiu T.. "A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects". . p. 1828 - 1840. Retrieved 2015/03/14.