5-(2-Fluorophenyl)nicotinic acid

Base Information

• Chemical Name: 5-(2-Fluorophenyl)nicotinic acid
• CAS No.: 705961-96-2
• Molecular Formula: C₁₂H₈FNO₂
• Molecular Weight: 217.199
• Hs Code.: 2933399990
• European Community (EC) Number: 893-874-5
• DSSTox Substance ID: DTXSID90602476
• Wikidata: Q82499570
• Mol file: 705961-96-2.mol

Synonyms:5-(2-Fluorophenyl)nicotinic acid;705961-96-2;5-(2-fluorophenyl)pyridine-3-carboxylic acid;MFCD06410258;5-(2-fluorophenyl)-3-pyridinecarboxylic acid;SCHEMBL2515900;DTXSID90602476;AKOS004118910;AB24234;DS-17219;SY015776;DB-024162;CS-0156685;EN300-109226;O11287;A836931;Z992241444;5-(2-fluorophenyl)pyridine-3-carboxylic acid, AldrichCPR;5-(2-Fluorophenyl)nicotinic Acid

Chemical Property of 5-(2-Fluorophenyl)nicotinic acid

Chemical Property:

• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 217.05390666
• Heavy Atom Count: 16
• Complexity: 259

Purity/Quality:

98%min ^*data from raw suppliers

5-(2-Fluorophenyl)nicotinic acid ^*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=CC(=CN=C2)C(=O)O)F

Technology Process of 5-(2-Fluorophenyl)nicotinic acid

There total 1 articles about 5-(2-Fluorophenyl)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: 62.0%

(5-{2-[(3-anthracen-9-yl-propyl)-methylamino]-ethoxy}-indol-1-yl)-[5-(2-fluorophenyl)-pyridin-3-yl]-methanone (705961-79-1) → 5-(2-fluorophenyl)pyridine-3-carboxylic acid (705961-96-2)

Guidance literature:

(5-{2-[(3-anthracen-9-yl-propyl)-methylamino]-ethoxy}-indol-1-yl)-[5-(2-fluorophenyl)-pyridin-3-yl]-methanone; polymer-supported maleimide; In toluene; at 100 ℃; for 16h;

With cesium hydroxide; In tetrahydrofuran; at 20 ℃; for 16h; Further stages.;

DOI:10.1039/b400110a

Reference yield:

N-methyl-N-trimethylsilyl-2,2,2-trifluoroacetamide (24589-78-4) + 5-(2-fluorophenyl)pyridine-3-carboxylic acid (705961-96-2) → C15H16FNO2Si

Guidance literature:

In ethyl acetate; at 100 ℃; for 1h;

DOI:10.1080/00498254.2016.1227109

upstream raw materials:

(5-{2-[(3-anthracen-9-yl-propyl)-methylamino]-ethoxy}-indol-1-yl)-[5-(2-fluorophenyl)-pyridin-3-yl]-methanone