3-(Propane-1-sulfonamido)benzoic acid

Base Information

Chemical Name:3-(Propane-1-sulfonamido)benzoic acid
CAS No.:849409-82-1
Molecular Formula:C10H13NO4S
Molecular Weight:243.284
Hs Code.:2935009090
DSSTox Substance ID:DTXSID20585506
Wikidata:Q82477482
Mol file:849409-82-1.mol

Synonyms:3-(propane-1-sulfonamido)benzoic acid;849409-82-1;3-[(propylsulfonyl)amino]benzoic acid;3-(propylsulfonylamino)benzoic acid;3-(propane-1-sulfonylamino)-benzoic acid;SCHEMBL411794;3-(propylsulfonamido)benzoic acid;DTXSID20585506;CTGSASQPVDRJOP-UHFFFAOYSA-N;ZIB40982;3-(propane-1-sulfonamido)benzoicacid;AKOS000136598;SB77351;BS-24266;3-[(Propane-1-sulfonyl)amino]benzoic acid;CS-0213060;EN300-29788;Z45636570

Suppliers and Price of 3-(Propane-1-sulfonamido)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

Crysdot
3-(Propane-1-sulfonamido)benzoicacid 95+%
25g
$ 452.00

AK Scientific
3-(Propane-1-sulfonamido)benzoicacid
5g
$ 291.00

Total 1 raw suppliers

Chemical Property of 3-(Propane-1-sulfonamido)benzoic acid

Chemical Property:

PSA：91.85000
LogP:2.69030
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:243.05652907
Heavy Atom Count:16
Complexity:333

Purity/Quality:: 3-(Propane-1-sulfonamido)benzoicacid 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-(Propane-1-sulfonamido)benzoic acid

There total 7 articles about 3-(Propane-1-sulfonamido)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: 89.0%

: 849409-81-0
3-(propane-1-sulfonylamino)-benzoic acid ethyl ester

: 849409-82-1
3-(propylsulfonamido)benzoic acid

Guidance literature:: 3-(propane-1-sulfonylamino)-benzoic acid ethyl ester; With methanol; lithium hydroxide; In tetrahydrofuran; for 5h;

With hydrogenchloride; water; In tetrahydrofuran; methanol; for 5h;

Reference yield: 78.0%

: methyl 3-(propylsulfonamido)benzoate

: 849409-82-1
3-(propylsulfonamido)benzoic acid

Guidance literature:: With sodium hydroxide; In tetrahydrofuran; methanol; at 0 - 20 ℃;
DOI:10.1016/j.ejmech.2020.112963

Reference yield: 26.0%

: 4518-10-9
Methyl 3-aminobenzoate

: 10147-36-1
n-propanesulfonyl chloride

: 849409-82-1
3-(propylsulfonamido)benzoic acid

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

With sodium hydroxide; In tetrahydrofuran; methanol; water; at 20 ℃; for 6h;

With sodium hydroxide;
DOI:10.1021/acs.jmedchem.0c01564