4-Phenylmethanesulfonylbenzoic acid

Base Information

Chemical Name:4-Phenylmethanesulfonylbenzoic acid
CAS No.:70793-11-2
Molecular Formula:C14H12O4S
Molecular Weight:276.313
Hs Code.:
DSSTox Substance ID:DTXSID901283735
ChEMBL ID:CHEMBL1382401

Synonyms:4-phenylmethanesulfonylbenzoic acid;70793-11-2;4-(benzylsulfonyl)benzoic acid;4-benzylsulfonylbenzoic acid;ChemDiv2_001098;MLS000043266;CHEMBL1382401;SCHEMBL11827401;DTXSID901283735;HMS1372B20;HMS2392J04;4-Phenylmethanesulfonyl-benzoic acid;AKOS000186801;4-[(Phenylmethyl)sulfonyl]benzoic acid;SMR000019886;CS-0263002;EN300-84661;SR-01000112782;A1-04258;SR-01000112782-1;Z228037870

Suppliers and Price of 4-Phenylmethanesulfonylbenzoic 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

Total 2 raw suppliers

Chemical Property of 4-Phenylmethanesulfonylbenzoic acid

Chemical Property:

XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:276.04563003
Heavy Atom Count:19
Complexity:396

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)CS(=O)(=O)C2=CC=C(C=C2)C(=O)O

Technology Process of 4-Phenylmethanesulfonylbenzoic acid

There total 5 articles about 4-Phenylmethanesulfonylbenzoic 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: 87.0%

: 22855-95-4
4-benzylsulfanylbenzoic acid

: 70793-11-2
p-(benzylsulfonyl)benzoic acid

Guidance literature:: With dihydrogen peroxide; In acetic acid; at 70 ℃; for 1.5h;
DOI:10.1021/jm00169a008

Reference yield:

: 53136-21-3
1-benzylsulphanyl-4-bromobenzene

: 70793-11-2
p-(benzylsulfonyl)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) Mg, BrCH₂CH₂Br / 1.) THF, reflux, 1 h, 2.) 3 h

2: 87 percent / 33percent H₂O₂ / acetic acid / 1.5 h / 70 °C

With dihydrogen peroxide; magnesium; ethylene dibromide; In acetic acid;
DOI:10.1021/jm00169a008

Reference yield:

: 100-39-0
benzyl bromide

: 70793-11-2
p-(benzylsulfonyl)benzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 66.7 percent / NaH / dimethylformamide; paraffin / 1 h / 50 - 60 °C

2: 1.) Mg, BrCH₂CH₂Br / 1.) THF, reflux, 1 h, 2.) 3 h

3: 87 percent / 33percent H₂O₂ / acetic acid / 1.5 h / 70 °C

With dihydrogen peroxide; sodium hydride; magnesium; ethylene dibromide; In acetic acid; N,N-dimethyl-formamide; paraffin;
DOI:10.1021/jm00169a008