4-{[(Phenylsulfonyl)amino]methyl}benzoic acid

Base Information

Chemical Name:4-{[(Phenylsulfonyl)amino]methyl}benzoic acid
CAS No.:178693-27-1
Molecular Formula:C14H13NO4S
Molecular Weight:291.328
Hs Code.:
DSSTox Substance ID:DTXSID80401238
Wikidata:Q82204302
Mol file:178693-27-1.mol

Synonyms:178693-27-1;4-(benzenesulfonamidomethyl)benzoic Acid;4-{[(phenylsulfonyl)amino]methyl}benzoic acid;Benzoic acid, 4-[[(phenylsulfonyl)amino]methyl]-;4-(Phenylsulfonamidomethyl)benzoic Acid;4-([(Phenylsulfonyl)amino]methyl)benzoic acid;MFCD01250125;SCHEMBL996398;DTXSID80401238;CHOGMPPUSGFJEB-UHFFFAOYSA-N;4-(Phenylsulfonamidomethyl)benzoicAcid;AKOS000155622;SB82475;NS-04869;CS-0215845;EN300-303053;Z45512169

Suppliers and Price of 4-{[(Phenylsulfonyl)amino]methyl}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

Matrix Scientific
4-{[(Phenylsulfonyl)amino]methyl}benzoic acid
500mg
$ 237.00

Crysdot
4-(Phenylsulfonamidomethyl)benzoicacid 97%
5g
$ 752.00

AK Scientific
4-{[(Phenylsulfonyl)amino]methyl}benzoicacid
5g
$ 904.00

Total 7 raw suppliers

Chemical Property of 4-{[(Phenylsulfonyl)amino]methyl}benzoic acid

Chemical Property:

PSA：91.85000
LogP:3.33500
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:291.05652907
Heavy Atom Count:20
Complexity:415

Purity/Quality:

98%min ^*data from raw suppliers

4-{[(Phenylsulfonyl)amino]methyl}benzoic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)O

Technology Process of 4-{[(Phenylsulfonyl)amino]methyl}benzoic acid

There total 4 articles about 4-{[(Phenylsulfonyl)amino]methyl}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: 91.0%

: 56-91-7
p-aminomethylbenzoic acid

: 98-09-9
benzenesulfonyl chloride

: 178693-27-1
4-(phenylsulfonamidomethyl)benzoic acid

Guidance literature:: With borax; In water; at 20 ℃; for 4h; Sonication;
DOI:10.1016/j.ejmech.2017.02.018

Reference yield:

: 471925-05-0
methyl 4-(phenylsulfonamidomethyl)benzoate

: 178693-27-1
4-(phenylsulfonamidomethyl)benzoic acid

Guidance literature:: With lithium hydroxide; In tetrahydrofuran;
DOI:10.1016/S0960-894X(02)00175-0

Reference yield:

: 6232-11-7
methyl 4-(aminomethyl)benzoate hydrochloride

: 178693-27-1
4-(phenylsulfonamidomethyl)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: TEA / tetrahydrofuran

2: aq. LiOH / tetrahydrofuran

With lithium hydroxide; TEA; In tetrahydrofuran;
DOI:10.1016/S0960-894X(02)00175-0