3-phenylpyridine-2-carboxylic Acid

Base Information

• Chemical Name: 3-phenylpyridine-2-carboxylic Acid
• CAS No.: 103863-15-6
• Molecular Formula: C12H9NO2
• Molecular Weight: 199.209
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID40376453
• Wikidata: Q72498544
• Mol file: 103863-15-6.mol

Synonyms:3-Phenylpicolinic acid;103863-15-6;3-phenylpyridine-2-carboxylic Acid;3-Phenyl-2-pyridinecarboxylic acid;3-phenyl-pyridine-2-carboxylic acid;phenylpicolinic acid;3-Phenylpicolinicacid;3-phenyl picolinic acid;SCHEMBL287699;DTXSID40376453;SJLPJJGKJSOUOR-UHFFFAOYSA-N;2-Pyridinecarboxylicacid,3-phenyl-;MFCD04114112;AKOS006280750;SB52695;2,2,4,5,5-PENTABROMOBIPHENYL;AM802864;AS-39481;CS-0046989;FT-0646848;J-513040

Chemical Property of 3-phenylpyridine-2-carboxylic Acid

Chemical Property:

• Vapor Pressure: 4.82E-06mmHg at 25°C
• Melting Point: 325-328℃
• Refractive Index: 1.613
• Boiling Point: 367.3 °C at 760 mmHg
• PKA: 0.94±0.50(Predicted)
• Flash Point: 176 °C
• PSA: 50.19000
• Density: 1.241 g/cm³
• LogP: 2.44680
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 199.063328530
• Heavy Atom Count: 15
• Complexity: 224

Purity/Quality:

98%min ^*data from raw suppliers

3-Phenyl-2-pyridinecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-phenylpyridine-2-carboxylic Acid

There total 14 articles about 3-phenylpyridine-2-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: 84.5%

2-methyl-3-phenylpyridine (3256-89-1) → 3-phenylpyridine-2-carboxylic acid (103863-15-6)

Guidance literature:

With potassium permanganate; for 6h; Heating;

Reference yield: 78.0%

methyl 3-Phenylpyridine-2-carboxylate (174681-89-1) → 3-phenylpyridine-2-carboxylic acid (103863-15-6)

Guidance literature:

methyl 3-Phenylpyridine-2-carboxylate; With sodium hydroxide; In methanol; at 20 - 50 ℃; for 18.5h; Inert atmosphere;

With hydrogenchloride; In methanol; water; pH=2; Inert atmosphere;

DOI:10.1002/adsc.202000726

Reference yield: 75.0%

2-bromo-3-phenylpyridine (32864-29-2) + carbon dioxide (124-38-9,18923-20-1) → 3-phenylpyridine-2-carboxylic acid (103863-15-6)

Guidance literature:

2-bromo-3-phenylpyridine; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 1h;

carbon dioxide; In tetrahydrofuran;

upstream raw materials:

2-methyl-3-phenylpyridine

methyl 3-Phenylpyridine-2-carboxylate

methyl 3-bromopicolinate

phenylboronic acid

Downstream raw materials:

3-phenylpiperidine-2-carboxylic acid

2-bromo-3-phenylpyridine

2-chloro-3-phenyl-pyridine

(2S,3S)-1-(tert-butoxycarbonyl)-3-phenylpiperidine-2-carboxylic acid