2-(2-Chlorophenyl)-isonicotinic acid

Base Information

• Chemical Name: 2-(2-Chlorophenyl)-isonicotinic acid
• CAS No.: 883528-25-4
• Molecular Formula: C12H8 F N O2
• Molecular Weight: 217.199
• Mol file: 883528-25-4.mol

Synonyms:2-(4-Fluorophenyl)isonicotinicacid

Chemical Property of 2-(2-Chlorophenyl)-isonicotinic acid

Chemical Property:

• PSA: 50.19000
• LogP: 3.10020

Purity/Quality:

99% ^*data from raw suppliers

2-(4-Fluorophenyl)isonicotinic acid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2-(4-Fluorophenyl)isonicotinic acid is used as a reactant in the virtual screening, synthesis, and bioassay in the discovery of novel chemical inhibitors of human cyclophilin A.

Technology Process of 2-(2-Chlorophenyl)-isonicotinic acid

There total 5 articles about 2-(2-Chlorophenyl)-isonicotinic 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: 51.0%

methyl 2-(4-fluorophenyl)pyridine-4-carboxylate (914397-27-6) → 2-(4-fluorophenyl)isonicotinic acid (883528-25-4)

Guidance literature:

With water; sodium hydroxide; In methanol; at 20 ℃;

Reference yield:

2-(4-fluorophenyl)pyridine-4-carbonitrile (1214385-22-4) → 2-(4-fluorophenyl)isonicotinic acid (883528-25-4)

Guidance literature:

With water; sodium hydroxide; In ethanol; Reflux;

DOI:10.1021/acsmedchemlett.1c00135

Reference yield:

2-chloro-4-pyridinenitrile (33252-30-1) → 2-(4-fluorophenyl)isonicotinic acid (883528-25-4)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate / tetrahydrofuran; water / 80 °C / Inert atmosphere

2: sodium hydroxide; water / ethanol / Reflux

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; water; potassium carbonate; sodium hydroxide; In tetrahydrofuran; ethanol; water;

DOI:10.1021/acsmedchemlett.1c00135

upstream raw materials:

4-(4-Fluoro-phenyl)-oxazole

maleic acid

methyl 2-(4-fluorophenyl)pyridine-4-carboxylate

2-(4-fluorophenyl)pyridine-4-carbonitrile

Downstream raw materials:

2-(4-fluorophenyl)-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]isonicotinamide