3-(N,N-Diethylsulfamoyl)benzoic acid

Base Information

Chemical Name:3-(N,N-Diethylsulfamoyl)benzoic acid
CAS No.:1576-46-1
Molecular Formula:C11H15NO4S
Molecular Weight:257.31
Hs Code.:2935009090
DSSTox Substance ID:DTXSID20355241
Wikidata:Q82134008
Mol file:1576-46-1.mol

Synonyms:1576-46-1;3-(N,N-Diethylsulfamoyl)benzoic acid;3-Diethylsulfamoylbenzoic acid;3-(diethylsulfamoyl)benzoic acid;3-diethylsulfamoyl-benzoic acid;3-[(diethylamino)sulfonyl]benzoic acid;ChemDiv3_000504;3-(diethylsulfamoyl)benzoate;Oprea1_120019;SCHEMBL1421294;DTXSID20355241;HMS1474G20;3-(N,N-Diethylsulfamoyl)benzoicacid;MFCD00760900;AKOS000114631;NCGC00174151-01;3-(N,N-Diethylaminosulfonyl)benzoic Acid;BS-21572;3-diethylsulfamoyl-benzoic acid, AldrichCPR;BB 0237867;CS-0210313;EN300-00276;AB00080453-01;A883485;SR-01000399032;SR-01000399032-1;BRD-K94636973-001-01-4;Z53036652

Suppliers and Price of 3-(N,N-Diethylsulfamoyl)benzoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
3-Diethylsulfamoylbenzoicacid
250mg
$ 55.00

Crysdot
3-(N,N-Diethylsulfamoyl)benzoicacid 95+%
10g
$ 301.00

American Custom Chemicals Corporation
3-DIETHYLSULFAMOYL-BENZOIC ACID 95.00%
5G
$ 1082.56

American Custom Chemicals Corporation
3-DIETHYLSULFAMOYL-BENZOIC ACID 95.00%
2.5G
$ 906.27

American Custom Chemicals Corporation
3-DIETHYLSULFAMOYL-BENZOIC ACID 95.00%
1G
$ 677.91

Alichem
3-(N,N-Diethylsulfamoyl)benzoicacid
10g
$ 400.00

AK Scientific
3-Diethylsulfamoylbenzoicacid
1g
$ 117.00

Total 16 raw suppliers

Chemical Property of 3-(N,N-Diethylsulfamoyl)benzoic acid

Chemical Property:

Vapor Pressure:2.78E-08mmHg at 25°C
Melting Point:153-154 °C(Solv: water (7732-18-5))
Refractive Index:1.553
Boiling Point:433.5 °C at 760 mmHg
PKA:3.75±0.10(Predicted)
Flash Point:216 °C
PSA：83.06000
Density:1.283 g/cm³
LogP:2.49610
Storage Temp.:2-8°C
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:257.07217913
Heavy Atom Count:17
Complexity:356

Purity/Quality:

97% ^*data from raw suppliers

3-Diethylsulfamoylbenzoicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)O
Uses 3-Diethylsulfamoylbenzoic acid

Technology Process of 3-(N,N-Diethylsulfamoyl)benzoic acid

There total 3 articles about 3-(N,N-Diethylsulfamoyl)benzoic acid 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: 94.0%

: 4025-64-3
3-Carboxybenzenesulfonyl chloride

: 109-89-7
diethylamine

: 1576-46-1
<(Diethylamino)sulfonyl>benzoic Acid

Guidance literature:: In dichloromethane; at 0 - 20 ℃;
DOI:10.1021/jm4006302

Reference yield:

: 65-85-0,8013-63-6
benzoic acid

: 1576-46-1
<(Diethylamino)sulfonyl>benzoic Acid

Guidance literature:: Multi-step reaction with 2 steps

1: 2 h / 150 °C / Inert atmosphere

2: ethyl acetate / 0 - 20 °C / Inert atmosphere

In ethyl acetate;
DOI:10.1002/ardp.201500082