4'-(Methylsulfonyl)-[1,1'-biphenyl]-3-carboxylic acid

Base Information

Chemical Name:4'-(Methylsulfonyl)-[1,1'-biphenyl]-3-carboxylic acid
CAS No.:893736-70-4
Molecular Formula:C14H12 O4 S
Molecular Weight:276.31
Hs Code.:2916399090
ChEMBL ID:CHEMBL4170259
DSSTox Substance ID:DTXSID30602490
Wikidata:Q82499592
Mol file:893736-70-4.mol

Synonyms:893736-70-4;4'-(Methylsulfonyl)-[1,1'-biphenyl]-3-carboxylic acid;4'-(Methylsulfonyl)biphenyl-3-carboxylic acid;3-(4-methylsulfonylphenyl)benzoic acid;4'-Methanesulfonyl-biphenyl-3-carboxylic acid;SCHEMBL4256150;4'-(Methylsulfonyl)-[1,1'-biphenyl]-3-carboxylicacid;4'-(Methylsulfonyl)[1,1'-biphenyl]-3-carboxylic acid;CHEMBL4170259;DTXSID30602490;MFCD06802570;AKOS004118946;AM807792;BS-23918;4''-(Methylsulfonyl)biphenyl-3-carboxylic Acid;A849048;4'-(Methanesulfonyl)[1,1'-biphenyl]-3-carboxylic acid;Z1741969587

Suppliers and Price of 4'-(Methylsulfonyl)-[1,1'-biphenyl]-3-carboxylic 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]-3-carboxylicacid 95+%
5g
$ 564.00

American Custom Chemicals Corporation
4'-(METHYLSULFONYL)-[1,1'-BIPHENYL]-3-CARBOXYLIC ACID 95.00%
5MG
$ 504.27

Alichem
4'-(Methylsulfonyl)-[1,1'-biphenyl]-3-carboxylicacid
5g
$ 570.00

AK Scientific
4'-(Methylsulfonyl)-[1,1'-biphenyl]-3-carboxylicacid
1g
$ 251.00

Total 10 raw suppliers

Chemical Property of 4'-(Methylsulfonyl)-[1,1'-biphenyl]-3-carboxylic acid

Chemical Property:

PSA：79.82000
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:415

Purity/Quality:

97% ^*data from raw suppliers

4'-(Methylsulfonyl)-[1,1'-biphenyl]-3-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(=CC=C2)C(=O)O

Technology Process of 4'-(Methylsulfonyl)-[1,1'-biphenyl]-3-carboxylic acid

There total 4 articles about 4'-(Methylsulfonyl)-[1,1'-biphenyl]-3-carboxylic 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: 90.0%

: 585-76-2
m-bromobenzoic acid

: 149104-88-1
4-methanesulphonylphenylboronic acid

: 893736-70-4
4'-(methylsulfonyl)biphenyl-3-carboxylic acid

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; potassium phosphate; In 1,4-dioxane; water; at 95 ℃; Inert atmosphere;
DOI:10.1016/j.ejmech.2017.12.085

Reference yield: 47.0%

: 3466-32-8
4-bromoohenyl methyl sulfone

: 25487-66-5
3-Carboxyphenylboronic acid

: 893736-70-4
4'-(methylsulfonyl)biphenyl-3-carboxylic acid

Guidance literature:: With potassium phosphate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 90 ℃; for 16h;
DOI:10.1021/jm034206x

Reference yield:

: 104-95-0
(4-bromophenyl)thioanisole

: 893736-70-4
4'-(methylsulfonyl)biphenyl-3-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 96 percent / Oxone / methanol; H₂O / 16 h / 0 - 20 °C

2: 47 percent / K₃PO₄; Pd(PPh₃)4 / dimethylformamide / 16 h / 90 °C

With Oxone; potassium phosphate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In methanol; water; N,N-dimethyl-formamide; 2: Suzuki cross-coupling;
DOI:10.1021/jm034206x