2',6'-Dimethyl-[1,1'-biphenyl]-3-carboxylic acid

Base Information

Chemical Name:2',6'-Dimethyl-[1,1'-biphenyl]-3-carboxylic acid
CAS No.:955929-56-3
Molecular Formula:C15H14O2
Molecular Weight:226.27046
Hs Code.:2916399090
DSSTox Substance ID:DTXSID40591285
Wikidata:Q82485032
Mol file:955929-56-3.mol

Synonyms:955929-56-3;2',6'-Dimethyl-[1,1'-biphenyl]-3-carboxylic acid;2',6'-DIMETHYLBIPHENYL-3-CARBOXYLIC ACID;3-(2,6-dimethylphenyl)benzoic acid;2',6'-Dimethyl-[1,1'-biphenyl]-3-carboxylicacid;SCHEMBL2020761;DTXSID40591285;MFCD11895286;AKOS015842223;2,6-Dimethylbiphenyl-3-carboxylic acid;BS-33360;CS-0211297;2'',6''-Dimethylbiphenyl-3-carboxylic Acid;2',6'-Dimethyl[1,1'-biphenyl]-3-carboxylic acid

Suppliers and Price of 2',6'-Dimethyl-[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

TRC
2'',6''-Dimethylbiphenyl-3-carboxylicacid
100mg
$ 175.00

American Custom Chemicals Corporation
2',6'-DIMETHYL-[1,1'-BIPHENYL]-3-CARBOXYLIC ACID 95.00%
5MG
$ 497.42

Alichem
2',6'-Dimethyl-[1,1'-biphenyl]-3-carboxylicacid
1g
$ 470.80

AK Scientific
2',6'-Dimethyl-[1,1'-biphenyl]-3-carboxylicacid
250mg
$ 351.00

Total 6 raw suppliers

Chemical Property of 2',6'-Dimethyl-[1,1'-biphenyl]-3-carboxylic acid

Chemical Property:

Boiling Point:374.8±21.0 °C(Predicted)
PKA:4.12±0.10(Predicted)
PSA：37.30000
Density:1.132±0.06 g/cm3(Predicted)
LogP:3.66860
Storage Temp.:2-8°C
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:226.099379685
Heavy Atom Count:17
Complexity:264

Purity/Quality:

97% ^*data from raw suppliers

2'',6''-Dimethylbiphenyl-3-carboxylicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=CC=C1)C)C2=CC(=CC=C2)C(=O)O
Uses 2'',6''-Dimethylbiphenyl-3-carboxylic acid

Technology Process of 2',6'-Dimethyl-[1,1'-biphenyl]-3-carboxylic acid

There total 4 articles about 2',6'-Dimethyl-[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: 76.0%

: 691905-26-7
2',6'-dimethyl-[1,1'-biphenyl]-3-carbaldehyde

: 955929-56-3
2',6'-dimethyl-[1,1'-biphenyl]-3-carboxylic acid

Guidance literature:: With sodium chlorite; sodium dihydrogenphosphate; 2-methyl-but-2-ene; In tetrahydrofuran; water; tert-butyl alcohol; at 0 - 20 ℃; for 3h;
DOI:10.1016/j.bmc.2017.03.001

Reference yield:

: 955929-55-2
ethyl 2',6'-dimethylbiphenyl-3-carboxylate

: 955929-56-3
2',6'-dimethyl-[1,1'-biphenyl]-3-carboxylic acid

Guidance literature:: With sodium hydroxide; water; In ethanol; at 60 ℃;

Reference yield:

: 3132-99-8
m-bromobenzoic aldehyde

: 955929-56-3
2',6'-dimethyl-[1,1'-biphenyl]-3-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / ethanol; water; toluene / 80 °C / Inert atmosphere

2: 2-methyl-but-2-ene; sodium dihydrogenphosphate; sodium chlorite / water; tert-butyl alcohol; tetrahydrofuran / 3 h / 0 - 20 °C

With sodium chlorite; sodium dihydrogenphosphate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; 2-methyl-but-2-ene; sodium carbonate; In tetrahydrofuran; ethanol; water; toluene; tert-butyl alcohol; 1: |Suzuki Coupling;
DOI:10.1016/j.bmc.2017.03.001