3-phenylpyridine-4-carboxylic Acid

Base Information

• Chemical Name: 3-phenylpyridine-4-carboxylic Acid
• CAS No.: 104096-15-3
• Molecular Formula: C12H9NO2
• Molecular Weight: 199.209
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID30376588
• Wikidata: Q72502048
• Mol file: 104096-15-3.mol

Synonyms:3-Phenylisonicotinic acid;104096-15-3;3-phenylpyridine-4-carboxylic Acid;MFCD04114253;3-Phenylisonicotinicacid;SCHEMBL2749796;DTXSID30376588;3-Phenyl-4-pyridinecarboxylic acid;3-Phenylpyridine-4-carboxylic?acid;4-Pyridinecarboxylicacid,3-phenyl-;AKOS006293429;SB52977;SY040039;TS-02815;CS-0060513;FT-0709461;EN300-136702;O11047;A850500;J-513065;3-phenylpyridine-4-carboxylic acid;3-Phenylisonicotinic Acid

Chemical Property of 3-phenylpyridine-4-carboxylic Acid

Chemical Property:

• Vapor Pressure: 3.18E-08mmHg at 25°C
• Refractive Index: 1.613
• Boiling Point: 431.8 °C at 760mmHg
• PKA: 1.21±0.10(Predicted)
• Flash Point: 215 °C
• PSA: 50.19000
• Density: 1.241 g/cm³
• LogP: 2.44680
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• 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:

98% ^*data from raw suppliers

3-PhenylisonicotinicAcid ^*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(C=CN=C2)C(=O)O

Technology Process of 3-phenylpyridine-4-carboxylic Acid

There total 10 articles about 3-phenylpyridine-4-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: 99.0%

3-phenyl ethyl isonicotinate (1261743-67-2) → 3-phenylpyridine-4-carboxylic acid (104096-15-3)

Guidance literature:

With water; lithium hydroxide; In tetrahydrofuran; at 20 ℃;

Reference yield: 43.5%

methyl-4 phenyl-3 pyridine (19352-29-5) → 3-phenylpyridine-4-carboxylic acid (104096-15-3)

Guidance literature:

With selenium(IV) oxide; In diphenylether; at 155 - 185 ℃;

DOI:10.1021/acs.jmedchem.8b01158

Reference yield:

3-bromoisonicotinic acid (13959-02-9) + phenylboronic acid (98-80-6) → 3-phenylpyridine-4-carboxylic acid (104096-15-3)

Guidance literature:

With palladium diacetate; potassium carbonate; triphenylphosphine; In 1,4-dioxane; water; Reflux; Inert atmosphere;

DOI:10.1016/j.dyepig.2018.03.066

upstream raw materials:

3-phenylpyridine-4-carboxylic acid methyl ester

methyl 3-bromoisonicotinate

phenylboronic acid

3-bromoisonicotinic acid

Downstream raw materials:

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

3-aza-9-hydroxy-9-fluorenylcarbonyl-L-prolyl-2-(tert-butyloxycarbonylaminomethyl)-5-chlorobenzylamide

Refernces

• 1、 Zheng, Yi,Obeng, Samuel,Wang, Huiqun,Jali, Abdulmajeed M.,Peddibhotla, Bharath,Williams, Dwight A.,Zou, Chuanchun,Stevens, David L.,Dewey, William L.,Akbarali, Hamid I.,Selley, Dana E.,Zhang, Yan. "Design, Synthesis, and Biological Evaluation of the Third Generation 17-Cyclopropylmethyl-3,14β-dihydroxy-4,5α-epoxy-6β-[(4′-pyridyl)carboxamido]morphinan (NAP) Derivatives as μ/κ Opioid Receptor Dual Selective Ligands". . p. 561 - 574. Retrieved 2019/01/30.
• 2、 Wu, Peng,Zhu, Jun,Zhang, Zhen,Dou, Dehai,Wang, Hedan,Wei, Bin,Wang, Zixing. "Nitrogen introduction of spirobifluorene to form α-, β-, γ-, and δ-aza-9,9′-spirobifluorenes: New bipolar system for efficient blue organic light-emitting diodes". . p. 185 - 191. Retrieved 2018/04/17.