Ethyl 2-sulfamoylbenzoate

Base Information

• Chemical Name: Ethyl 2-sulfamoylbenzoate
• CAS No.: 59777-72-9
• Molecular Formula: C9H11NO4S
• Molecular Weight: 229.257
• Hs Code.: 2935009090
• European Community (EC) Number: 611-882-7
• ChEMBL ID: CHEMBL149139
• DSSTox Substance ID: DTXSID80886369
• Nikkaji Number: J789.793F
• Wikidata: Q72477222
• Mol file: 59777-72-9.mol

Synonyms:ethyl 2-(aminosulfonyl)benzoate

Chemical Property of Ethyl 2-sulfamoylbenzoate

Chemical Property:

• Appearance/Colour: White crystal
• Vapor Pressure: 7.08E-07mmHg at 25°C
• Melting Point: 83 °C
• Refractive Index: 1.548
• Boiling Point: 408.283 °C at 760 mmHg
• PKA: 9.67±0.60(Predicted)
• Flash Point: 200.723 °C
• PSA: 94.84000
• Density: 1.327 g/cm³
• LogP: 2.29180
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 229.04087901
• Heavy Atom Count: 15
• Complexity: 320

Purity/Quality:

99% ^*data from raw suppliers

Ethyl2-Sulfamoylbenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=CC=C1S(=O)(=O)N

Technology Process of Ethyl 2-sulfamoylbenzoate

There total 9 articles about Ethyl 2-sulfamoylbenzoate 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: 54.0%

ethanol (64-17-5) + saccharin (81-07-2) → ethyl 2-(aminosulfonyl)benzoate (59777-72-9)

Guidance literature:

With sulfuric acid; In methanol; for 12h; Reflux;

DOI:10.1021/jm301501k

Reference yield:

chlorimuron ethyl (90982-32-4) → 4-methoxypyrimidin-2-amine (155-90-8) + 2-amino-4-chloro-6-methoxypyrimidine (5734-64-5) + ethyl 2-(aminosulfonyl)benzoate (59777-72-9) + saccharin (81-07-2) + N-(6-Chloro-4-methoxypyrimidin-2-yl)urea + chlorimuron (99283-00-8)

Guidance literature:

With water; for 2h; Product distribution; Rate constant; Irradiation; var. pH values;

DOI:10.1021/jf950556j

Reference yield:

2N-hydrochloric acid + chloroformic acid ethyl ester (541-41-3) + 2-AMINOBENZENESULFONAMIDE (3306-62-5) → ethyl 2-(aminosulfonyl)benzoate (59777-72-9)

Guidance literature:

With pyridine; In acetonitrile;

upstream raw materials:

ethanol

2-sulfamoyl-benzoic acid

ethyl iodide

saccharin

Downstream raw materials:

C₁₁H₁₃NO₆S

2-[4-(1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)butylsulfamoyl]benzoic acid

o-Ethoxycarbonylbenzenesulfonyl isocyanate

C₁₅H₁₅BrN₄O₆S

Refernces

• 1、 Lee, Yu-Ting,Cui, Chang-Jun,Chow, Eve W. L.,Pue, Nason,Lonhienne, Thierry,Wang, Jian-Guo,Fraser, James A.,Guddat, Luke W.. "Sulfonylureas have antifungal activity and are potent inhibitors of Candida albicans acetohydroxyacid synthase". supporting information. p. 210 - 219. Retrieved 2013/02/23.
• 2、 Choudhury, Partha P.,Dureja, Prem. "Phototransformation of Chlorimuron-ethyl in Aqueous Solution". . p. 3379 - 3382. Retrieved 2007/10/03.