4-(4-Methylsulfonylphenyl)benzoic acid

Base Information

Chemical Name:4-(4-Methylsulfonylphenyl)benzoic acid
CAS No.:16734-98-8
Molecular Formula:C₁₄H₁₂O₄S
Molecular Weight:276.313
Hs Code.:
DSSTox Substance ID:DTXSID20602489
Wikidata:Q82499590
Mol file:16734-98-8.mol

Synonyms:16734-98-8;4-(4-Methylsulfonylphenyl)benzoic acid;4'-(Methylsulfonyl)-[1,1'-biphenyl]-4-carboxylic acid;4'-Methanesulfonyl-biphenyl-4-carboxylic acid;4'-(Methylsulfonyl)[1,1'-biphenyl]-4-carboxylic acid;4-(4-METHANESULFONYLPHENYL)BENZOIC ACID;[1,1'-Biphenyl]-4-carboxylic acid, 4'-(methylsulfonyl)-;SCHEMBL2349058;4'-(Methylsulfonyl)-[1,1'-biphenyl]-4-carboxylicacid;DTXSID20602489;QSBUYGJDNKPSAR-UHFFFAOYSA-N;MFCD06802567;AKOS004118868;AM807793;BS-21692;CS-0208173;A849047;4'-(Methanesulfonyl)[1,1'-biphenyl]-4-carboxylic acid;4'-METHANESULFONYL-[1,1'-BIPHENYL]-4-CARBOXYLIC ACID

Suppliers and Price of 4-(4-Methylsulfonylphenyl)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
4'-(Methylsulfonyl)-[1,1'-biphenyl]-4-carboxylicacid 95+%
5g
$ 452.00

American Custom Chemicals Corporation
4'-(METHYLSULFONYL)-[1,1'-BIPHENYL]-4-CARBOXYLIC ACID 95.00%
5MG
$ 497.99

Alichem
4'-(Methylsulfonyl)-[1,1'-biphenyl]-4-carboxylicacid
5g
$ 469.68

AK Scientific
4'-(Methylsulfonyl)-[1,1'-biphenyl]-4-carboxylicacid
1g
$ 211.00

Total 7 raw suppliers

Chemical Property of 4-(4-Methylsulfonylphenyl)benzoic acid

Chemical Property:

Melting Point:332-333 °C
Boiling Point:519.1±50.0 °C(Predicted)
PKA:3.98±0.10(Predicted)
PSA：79.82000
Density:1.321±0.06 g/cm3(Predicted)
LogP:3.53610
Storage Temp.:2-8°C
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:276.04563003
Heavy Atom Count:19
Complexity:407

Purity/Quality:

97% ^*data from raw suppliers

4'-(Methylsulfonyl)-[1,1'-biphenyl]-4-carboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 4-(4-Methylsulfonylphenyl)benzoic acid

There total 3 articles about 4-(4-Methylsulfonylphenyl)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: 73.0%

: ethyl 4-methanesulfonylphenyl benzoate

: 16734-98-8
4-methanesulfonylphenyl benzoic acid

Guidance literature:: ethyl 4-methanesulfonylphenyl benzoate; With sodium hydroxide; In methanol; at 25 ℃; for 5h;

With hydrogenchloride; In water;

Reference yield:

: 5798-75-4
Ethyl 4-bromobenzoate

: 149104-88-1
4-methanesulphonylphenylboronic acid

: 16734-98-8
4-methanesulfonylphenyl benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / water; 1,4-dioxane / 16 h / 100 °C / Inert atmosphere

2: sodium hydroxide / methanol / 5 h / 25 °C

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; sodium hydroxide; In 1,4-dioxane; methanol; water;