Methyl 4-sulfamoylbenzoate

Base Information

• Chemical Name: Methyl 4-sulfamoylbenzoate
• CAS No.: 22808-73-7
• Molecular Formula: C8H9 N O4 S
• Molecular Weight: 215.23
• Hs Code.: 2935009090
• European Community (EC) Number: 245-235-1
• NSC Number: 251214
• UNII: 0OTO8N4C4K
• DSSTox Substance ID: DTXSID10177358
• Nikkaji Number: J286.315D
• Wikidata: Q83047690
• ChEMBL ID: CHEMBL148763
• Mol file: 22808-73-7.mol

Synonyms:methyl 4-sulfamoylbenzoate;22808-73-7;Methyl 4-sulphamoylbenzoate;Methyl 4-(aminosulfonyl)benzoate;4-Sulfamoyl-benzoic acid methyl ester;Benzoic acid, 4-(aminosulfonyl)-, methyl ester;4-(Aminosulfonyl)benzoic acid methyl ester;4-Methoxycarbonylbenzenesulfonamide;NSC 251214;0OTO8N4C4K;EINECS 245-235-1;4-Sulfamoylbenzoic Acid Methyl Ester;NSC-251214;Methyl p-sulfamylbenzoate;Methyl p-(Aminosulfonyl)benzoate;Benzoic acid,4-(aminosulfonyl)-, methyl ester;RZG;p-Carboxybenzenesulfonamide Methyl Ester;methyl4-sulfamoylbenzoate;UNII-0OTO8N4C4K;TimTec1_006275;CHEMBL148763;SCHEMBL1178941;DTXSID10177358;HMS1551N05;4-methoxycarbonyl benzenesulfonamide;methyl [4-(aminosulfonyl)]benzoate;Methyl 4-(aminosulfonyl)benzoate #;MFCD03768500;NSC251214;STK734727;AKOS000137371;SB79202;p-Sulfam-6-ylbenzoic acid, methyl ester;TS-00460;CS-0150807;FT-0672144;10.14272/XLOVNJUCAFIANM-UHFFFAOYSA-N;EN300-270494;Y13486;doi:10.14272/XLOVNJUCAFIANM-UHFFFAOYSA-N;4-(AMINOSULFONYL)BENZOIC ACID, METHYL ESTER;J-014862;Z18197050;2-(2-(2,6-Dimethylphenoxy)ethyl)hydrazinecarboximidamide sulfate

Chemical Property of Methyl 4-sulfamoylbenzoate

Chemical Property:

• Vapor Pressure: 3.06E-06mmHg at 25°C
• Melting Point: 181-182°C
• Boiling Point: 388.5°Cat760mmHg
• PKA: 9.75±0.10(Predicted)
• Flash Point: 188.7°C
• PSA: 94.84000
• Density: 1.377g/cm³
• LogP: 1.90170
• Storage Temp.: Refrigerator
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 215.02522894
• Heavy Atom Count: 14
• Complexity: 298

Purity/Quality:

99% ^*data from raw suppliers

Methyl4-Sulfamoylbenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=C(C=C1)S(=O)(=O)N
• Uses: Methyl 4-Sulfamoylbenzoate (cas# 22808-73-7) is a compound useful in organic synthesis.

Technology Process of Methyl 4-sulfamoylbenzoate

There total 10 articles about Methyl 4-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: 100.0%

methanol (67-56-1) + 4-(aminosulfonyl)-benzoic acid (138-41-0) → methyl 4-sulfamoylbenzoate (22808-73-7)

Guidance literature:

With thionyl chloride; at 20 ℃; for 2h;

DOI:10.1021/ja057926x

Reference yield: 98.0%

4-(aminosulfonyl)-benzoic acid (138-41-0) + diazomethyl-trimethyl-silane (18107-18-1) → methyl 4-sulfamoylbenzoate (22808-73-7)

Guidance literature:

In methanol; hexane; chloroform; at 20 ℃; for 0.0833333h;

DOI:10.1021/jm030594r

Reference yield: 74.0%

methyl 4-{[(E)-(diethylamino)methylidene]sulfamoyl}benzoate → methyl 4-sulfamoylbenzoate (22808-73-7)

Guidance literature:

With hydrazine hydrate; In ethanol; at 20 ℃; for 2h;

DOI:10.1002/ejoc.201300402

upstream raw materials:

diazomethane

4-(aminosulfonyl)-benzoic acid

methanol

4-Isopropylidenesulfamoyl-benzoic acid methyl ester

Downstream raw materials:

C₁₅H₁₃ClN₂O₅S

4-(di-prop-2-ynyl-sulfamoyl)-benzoic acid methyl ester

4-(4-oxo-2-m-tolyl-pentanoylsulfamoyl)-benzoic acid methyl ester

4-(hydroxymethyl)benzenesulfonamide

Refernces

• 1、 -. "Oxadiazole substituted benzenesulfonamide compound and preparation method thereof and application as carbonic anhydrase inhibitor". Paragraph 0059-0063. . Retrieved 2020/04/02.
• 2、 Angeli, Andrea,Kumar, Rajiv,Sharma, Pawan K.,Sharma, Vikas,Supuran, Claudiu T.. "Tail approach synthesis of novel benzenesulfonamides incorporating 1,3,4-oxadiazole hybrids as potent inhibitor of carbonic anhydrase I, II, IX, and XII isoenzymes". . . Retrieved 2020/03/23.