3-(Methylsulfonamido)benzoic Acid

Base Information

Chemical Name:3-(Methylsulfonamido)benzoic Acid
CAS No.:28547-13-9
Molecular Formula:C8H9NO4S
Molecular Weight:215.23
Hs Code.:29350090
European Community (EC) Number:630-168-6
NSC Number:15499
DSSTox Substance ID:DTXSID00280103
Wikidata:Q82013180
Mol file:28547-13-9.mol

Synonyms:3-(Methylsulfonamido)benzoic Acid;28547-13-9;3-(methanesulfonamido)benzoic acid;3-(METHANESULFONYLAMINO)BENZOIC ACID;3-[(methylsulfonyl)amino]benzoic acid;3-methanesulfonamidobenzoic acid;Benzoic acid, 3-[(methylsulfonyl)amino]-;MFCD00596197;3-(Methylsulphonylamino)benzoic acid;3-(Methylsulfonamido)benzoicAcid;NSC15499;SCHEMBL1677059;DTXSID00280103;HMS1759L20;3-(Methylsulfonylamino)benzoic acid;BBL013191;NSC 15499;NSC-15499;STK982334;AKOS000116459;AC-3009;SB79016;AS-31082;SY003548;CS-0106508;EN300-05441;3-(methanesulfonylamino)benzoic acid, AldrichCPR;A876693;Z45636555

Suppliers and Price of 3-(Methylsulfonamido)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-(Methanesulfonylamino)benzoicacid
500mg
$ 65.00

SynQuest Laboratories
3-(Methylsulfonylamino)benzoic acid
5 g
$ 360.00

Matrix Scientific
3-[(Methylsulfonyl)amino]benzoic acid
5g
$ 380.00

Matrix Scientific
3-[(Methylsulfonyl)amino]benzoic acid
1g
$ 120.00

Matrix Scientific
3-[(Methylsulfonyl)amino]benzoic acid
0.500g
$ 100.00

Crysdot
3-(Methylsulfonamido)benzoicacid 97%
25g
$ 428.00

Chemenu
3-[(Methylsulfonyl)amino]benzoicacid 95+%
25g
$ 400.00

American Custom Chemicals Corporation
3-(METHANESULFONYLAMINO)BENZOIC ACID 95.00%
1G
$ 648.81

American Custom Chemicals Corporation
3-(METHANESULFONYLAMINO)BENZOIC ACID 95.00%
5G
$ 1005.43

American Custom Chemicals Corporation
3-(METHANESULFONYLAMINO)BENZOIC ACID 95.00%
2.5G
$ 852.21

Total 16 raw suppliers

Chemical Property of 3-(Methylsulfonamido)benzoic Acid

Chemical Property:

Vapor Pressure:1.33E-07mmHg at 25°C
Boiling Point:414.2 °C at 760 mmHg
PKA:4.00±0.10(Predicted)
Flash Point:204.3 °C
PSA：91.85000
Density:1.51 g/cm³
LogP:1.91010
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:215.02522894
Heavy Atom Count:14
Complexity:306

Purity/Quality:

97% ^*data from raw suppliers

3-(Methanesulfonylamino)benzoicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s): C
Hazard Codes:C,Xn
Statements: 36/37/38-36-22
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CS(=O)(=O)NC1=CC=CC(=C1)C(=O)O

Technology Process of 3-(Methylsulfonamido)benzoic Acid

There total 7 articles about 3-(Methylsulfonamido)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: 36.0%

: 99-05-8,159139-79-4
meta-aminobenzoic acid

: 124-63-0
methanesulfonyl chloride

: 28547-13-9
3-(methanesulfonamido)benzoic acid

Guidance literature:: With pyridine; In dichloromethane; at 0 - 20 ℃; for 3h;
DOI:10.1021/acs.jmedchem.5b00114

Reference yield: 33.0%

: 4518-10-9
Methyl 3-aminobenzoate

: 124-63-0
methanesulfonyl chloride

: 28547-13-9
3-(methanesulfonamido)benzoic acid

Guidance literature:: Methyl 3-aminobenzoate; methanesulfonyl chloride; With triethylamine; In dichloromethane; at 0 - 20 ℃; for 3h;

With sodium hydroxide; In tetrahydrofuran; methanol; water; at 20 ℃; for 6h;
DOI:10.1021/acs.jmedchem.0c01564

Reference yield:

: 582-33-2
3-aminobenzoic acid ethyl ester

: 28547-13-9
3-(methanesulfonamido)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: pyridine / CH₂Cl₂ / 1 h / Ambient temperature

2: 1 N aq. NaOH / 1 h / Heating

With pyridine; sodium hydroxide; In dichloromethane;
DOI:10.1248/cpb.44.1865