2-[(2-Fluorophenyl)amino]nicotinic acid

Base Information

• Chemical Name: 2-[(2-Fluorophenyl)amino]nicotinic acid
• CAS No.: 57978-54-8
• Molecular Formula: C12H9FN2O2
• Molecular Weight: 232.21000
• DSSTox Substance ID: DTXSID00368455
• Nikkaji Number: J2.851.748C
• Wikidata: Q82155003
• Mol file: 57978-54-8.mol

Synonyms:2-[(2-fluorophenyl)amino]nicotinic acid;57978-54-8;2-(2-fluoroanilino)pyridine-3-carboxylic acid;2-[(2-fluorophenyl)amino]pyridine-3-carboxylic Acid;2-((2-Fluorophenyl)amino)nicotinic acid;SCHEMBL9471929;DTXSID00368455;APJRFLHMLYOPJK-UHFFFAOYSA-N;MFCD04621499;2-(2-Fluorophenylamino)nicotinic acid;AKOS000118718;CCG-356578;SB81131;2-((2-Fluorophenyl)amino)nicotinicacid;2-[(2-fluorophenyl)-amino]-nicotinic acid;EN300-08142;2-(2-Fluorophenylamino)pyridine-3-carboxylic acid;SR-01000046935;SR-01000046935-1;Z56943464

Chemical Property of 2-[(2-Fluorophenyl)amino]nicotinic acid

Chemical Property:

• PSA: 62.22000
• LogP: 2.73550
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 232.06480570
• Heavy Atom Count: 17
• Complexity: 275

Purity/Quality:

2-[(2-FLUOROPHENYL)AMINO]NICOTINIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)NC2=C(C=CC=N2)C(=O)O)F

Technology Process of 2-[(2-Fluorophenyl)amino]nicotinic acid

There total 4 articles about 2-[(2-Fluorophenyl)amino]nicotinic 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:

methyl 2-(2-fluorophenylamino)nicotinate → 2-(2-fluorophenylamino)nicotinic acid (57978-54-8)

Guidance literature:

With water; potassium hydroxide; In methanol; for 1h; Reflux;

Reference yield:

2-chloronicotinic acid (2942-59-8) + 2-Fluoroaniline (348-54-9) → 2-(2-fluorophenylamino)nicotinic acid (57978-54-8)

Guidance literature:

In 5,5-dimethyl-1,3-cyclohexadiene;

Reference yield:

methyl 2-fluoro-3-pyridinecarboxylate (446-26-4) → 2-(2-fluorophenylamino)nicotinic acid (57978-54-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 0.5 h / 120 °C / Microwave irradiation

2: water; potassium hydroxide / methanol / 1 h / Reflux

With water; potassium hydroxide; In methanol;

upstream raw materials:

2-chloronicotinic acid

2-Fluoroaniline

methyl 2-fluoro-3-pyridinecarboxylate

Refernces

• 1、 -. "TRPA1 MODULATORS". . . Retrieved 2015/12/08.