2-Phenylnicotinic acid

Base Information

• Chemical Name: 2-Phenylnicotinic acid
• CAS No.: 33421-39-5
• Molecular Formula: C12H9NO2
• Molecular Weight: 199.209
• Hs Code.: 2933399090
• European Community (EC) Number: 251-510-7
• NSC Number: 127178
• DSSTox Substance ID: DTXSID80187060
• Nikkaji Number: J308.484A
• Wikidata: Q72497969
• Mol file: 33421-39-5.mol

Synonyms:2-Phenylnicotinic acid;33421-39-5;2-phenylpyridine-3-carboxylic acid;2-Phenyl-3-pyridinecarboxylic acid;2-PhenylnicotinicAcid;EINECS 251-510-7;MFCD03069417;3-Pyridinecarboxylic acid, 2-phenyl-;SCHEMBL912675;2-PHENYL NICOTINIC ACID;DTXSID80187060;2-Phenylpyridin-3ylcarboxylic acid;NSC127178;AKOS015891494;NSC 127178;NSC-127178;PS-4937;SB52334;SY017179;AM20051081;CS-0060518;FT-0645198;P2452;A23260;EN300-100753;J-510266

Chemical Property of 2-Phenylnicotinic acid

Chemical Property:

• Vapor Pressure: 3.6E-07mmHg at 25°C
• Melting Point: 169 °C
• Refractive Index: 1.61
• Boiling Point: 357.309 °C at 760 mmHg
• Flash Point: 169.895 °C
• PSA: 50.19000
• Density: 1.241 g/cm³
• LogP: 2.44680
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Acetonitrile (Slightly), DMSO (Slightly), Methanol (Sparingly)
• XLogP3: 2
• 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:

99% ^*data from raw suppliers

2-Phenylpyridine-3-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O

Technology Process of 2-Phenylnicotinic acid

There total 12 articles about 2-Phenylnicotinic 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: 100.0%

2-phenylpyridine-3-carbonitrile (39065-49-1) → 2-phenyl-3-pyridinecarboxylic acid (33421-39-5)

Guidance literature:

With hydrogenchloride; for 144h; Heating;

DOI:10.1021/jm049423s

Reference yield: 61.0%

2-phenyl-3-methylpyridine (10273-90-2) → 2-phenyl-3-pyridinecarboxylic acid (33421-39-5)

Guidance literature:

With potassium permanganate; In water; for 1.75h; Heating;

DOI:10.1021/jo00361a015

Reference yield:

ethyl 2-chloronicotinate (1452-94-4) + phenylboronic acid (98-80-6) → 2-phenyl-3-pyridinecarboxylic acid (33421-39-5)

Guidance literature:

ethyl 2-chloronicotinate; phenylboronic acid; With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In tetrahydrofuran; water; Inert atmosphere; Reflux;

With methanol; sodium hydroxide; at 20 ℃; for 6h;

upstream raw materials:

2-phenyl-3-methylpyridine

2-phenylpyridine-3-carbonitrile

2-chloro-3-pyridinecarbonitrile

phenylboronic acid

Downstream raw materials:

5H-indeno[1,2-b]pyridin-5-one

C₂₉H₃₀N₆O

5H-chromeno[4,3-b]pyridin-5-one

4-azafluorene