4-(5-Cyanopyridin-3-yl)benzoic acid

Base Information

Chemical Name:4-(5-Cyanopyridin-3-yl)benzoic acid
CAS No.:851048-54-9
Molecular Formula:C13H8N2O2
Molecular Weight:224.219
Hs Code.:
DSSTox Substance ID:DTXSID10699181
Wikidata:Q82629978
Mol file:851048-54-9.mol

Synonyms:851048-54-9;4-(5-cyanopyridin-3-yl)benzoic acid;4-(5-CYANO(PYRIDIN-3-YL))BENZOIC ACID;DTXSID10699181;AKOS017549014

Suppliers and Price of 4-(5-Cyanopyridin-3-yl)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

Total 2 raw suppliers

Chemical Property of 4-(5-Cyanopyridin-3-yl)benzoic acid

Chemical Property:

PSA：73.98000
LogP:2.31848
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:224.058577502
Heavy Atom Count:17
Complexity:326

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C2=CN=CC(=C2)C#N)C(=O)O

Technology Process of 4-(5-Cyanopyridin-3-yl)benzoic acid

There total 2 articles about 4-(5-Cyanopyridin-3-yl)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:

: 851048-53-8
methyl 4-(6-cyanopyridin-3-yl)benzoate

: 851048-54-9
4-(6-cyano-3-pyridinyl)benzoic acid

Guidance literature:: methyl 4-(6-cyanopyridin-3-yl)benzoate; With lithium hydroxide; water; In 1,4-dioxane; at 20 ℃; for 48h;

With hydrogenchloride; In water;

Reference yield:

: 97483-77-7
2-Cyano-5-bromopyridine

: 180516-87-4
4-carboxyphenylboronic acid pinacol ester

: 851048-54-9
4-(6-cyano-3-pyridinyl)benzoic acid

Guidance literature:: With sodium carbonate; bis-triphenylphosphine-palladium(II) chloride; In 1,4-dioxane; water; for 18h; Heating / reflux;

Reference yield:

: 851048-54-9
4-(6-cyano-3-pyridinyl)benzoic acid

: 851048-47-0
1-(isopropyl)-hexahydro-1H-1,4-diazepine dihydrochloride

: 5-(4-{[4-(1-isopropyl)hexahydro-1H-1,4-diazepin-1-yl]carbonyl}phenyl)-2-cyanopyridine

Guidance literature:: 4-(6-cyano-3-pyridinyl)benzoic acid; With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In DMF (N,N-dimethyl-formamide); at 20 ℃; for 0.0833333h;

1-(isopropyl)-hexahydro-1H-1,4-diazepine dihydrochloride; With N-ethyl-N,N-diisopropylamine; In DMF (N,N-dimethyl-formamide); at 20 ℃;