Benzoic acid, 3-[[(1-methylethyl)sulfonyl]amino]-

Base Information

Chemical Name:Benzoic acid, 3-[[(1-methylethyl)sulfonyl]amino]-
CAS No.:99642-25-8
Molecular Formula:C10H13NO4S
Molecular Weight:243.284
Hs Code.:
DSSTox Substance ID:DTXSID20544936
Wikidata:Q82422240

Synonyms:99642-25-8;Benzoic acid, 3-[[(1-methylethyl)sulfonyl]amino]-;3-(1-methylethylsulfonamido)benzoic acid;3-(propan-2-ylsulfonylamino)benzoic acid;3-(PROPANE-2-SULFONAMIDO)BENZOIC ACID;SCHEMBL4200531;DTXSID20544936;SB81173;3-(1-methylethylsulfonamido)benzoicacid;3-[(Propane-2-sulfonyl)amino]benzoic acid;EN300-1006588;Z599618720

Suppliers and Price of Benzoic acid, 3-[[(1-methylethyl)sulfonyl]amino]-

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

AK Scientific
Benzoicacid,3-[[(1-methylethyl)sulfonyl]amino]-
500mg
$ 213.00

Total 3 raw suppliers

Chemical Property of Benzoic acid, 3-[[(1-methylethyl)sulfonyl]amino]-

Chemical Property:

PSA：91.85000
LogP:2.68870
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:243.05652907
Heavy Atom Count:16
Complexity:344

Purity/Quality:: Benzoicacid,3-[[(1-methylethyl)sulfonyl]amino]- ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Benzoic acid, 3-[[(1-methylethyl)sulfonyl]amino]-

There total 4 articles about Benzoic acid, 3-[[(1-methylethyl)sulfonyl]amino]- 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: 19.0%

: 4518-10-9
Methyl 3-aminobenzoate

: 10147-37-2
Isopropylsulfonyl chloride

: 99642-25-8
3-(1-methylethylsulfonamido)benzoic acid

Guidance literature:: Methyl 3-aminobenzoate; Isopropylsulfonyl 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