4-(3-cyanophenyl)benzoic Acid

Base Information

Chemical Name:4-(3-cyanophenyl)benzoic Acid
CAS No.:5728-45-0
Molecular Formula:C14H9NO2
Molecular Weight:223.231
Hs Code.:2926909090
European Community (EC) Number:673-758-9
DSSTox Substance ID:DTXSID70374088
Wikidata:Q82162574
ChEMBL ID:CHEMBL4632964
Mol file:5728-45-0.mol

Synonyms:4-(3-cyanophenyl)benzoic Acid;5728-45-0;3'-Cyano-[1,1'-biphenyl]-4-carboxylic acid;3'-Cyano-biphenyl-4-carboxylic acid;3'-cyano[1,1'-biphenyl]-4-carboxylic acid;CHEMBL4632964;3'-cyano-4-biphenylcarboxylic acid;4-(3-Cyanophenyl)benzoicacid;SCHEMBL2034067;DTXSID70374088;ITRBFYPHDCHMCY-UHFFFAOYSA-N;3'-cyanobiphenyl-4-carboxylic acid;BDBM50545342;MFCD04117359;AKOS004117517;BS-29053;BB 0223038;CS-0206356;3'-Cyano-[1,1'-biphenyl]-4-carboxylicacid;F79731;EN300-7392054

Suppliers and Price of 4-(3-cyanophenyl)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

TRC
4-(3-Cyanophenyl)benzoicacid
100mg
$ 85.00

Crysdot
3'-Cyano-[1,1'-biphenyl]-4-carboxylicacid 95+%
5g
$ 510.00

Alichem
3'-Cyano-[1,1'-biphenyl]-4-carboxylicacid
5g
$ 432.64

AK Scientific
3'-Cyano-[1,1'-biphenyl]-4-carboxylicacid
10g
$ 1051.00

Acrotein
3'-Cyano-4-biphenylcarboxylicacid 97%
5g
$ 770.00

Total 10 raw suppliers

Chemical Property of 4-(3-cyanophenyl)benzoic Acid

Chemical Property:

Boiling Point:436.6±38.0 °C(Predicted)
PKA:4.04±0.10(Predicted)
PSA：61.09000
Density:1.30±0.1 g/cm3(Predicted)
LogP:2.92348
Storage Temp.:2-8°C
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:223.063328530
Heavy Atom Count:17
Complexity:322

Purity/Quality:

98%Min ^*data from raw suppliers

4-(3-Cyanophenyl)benzoicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC(=C1)C2=CC=C(C=C2)C(=O)O)C#N

Technology Process of 4-(3-cyanophenyl)benzoic Acid

There total 9 articles about 4-(3-cyanophenyl)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: 88.0%

: 89900-92-5
methyl 3′-cyano-[1,1′-biphenyl]-4-carboxylate

: 5728-45-0
3'-cyano-[1,1'-biphenyl]-4-carboxylic acid

Guidance literature:: With lithium hydroxide monohydrate; In tetrahydrofuran; water; at 20 ℃; for 1h;
DOI:10.1016/j.bmcl.2020.127061

Reference yield: 80.0%

: 6952-59-6
3-cyanobromobenzene

: 5728-45-0
3'-cyano-[1,1'-biphenyl]-4-carboxylic acid

Guidance literature:: With potassium carbonate; palladium; triphenylphosphine; In water; isopropyl alcohol;
DOI:10.1016/j.inoche.2018.03.026

Reference yield:

: 150255-96-2
(3‐cyanophenyl)boronic acid

: 5728-45-0
3'-cyano-[1,1'-biphenyl]-4-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / toluene; methanol / 6 h / Reflux

2: lithium hydroxide monohydrate / tetrahydrofuran; water / 1 h / 20 °C

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; lithium hydroxide monohydrate; sodium carbonate; In tetrahydrofuran; methanol; water; toluene;
DOI:10.1016/j.bmcl.2020.127061