4-Fluoropicolinic acid

Base Information

• Chemical Name: 4-Fluoropicolinic acid
• CAS No.: 886371-78-4
• Molecular Formula: C6H4FNO2
• Molecular Weight: 141.0999
• Hs Code.: 2933399985
• DSSTox Substance ID: DTXSID00592834
• Wikidata: Q72476782
• Mol file: 886371-78-4.mol

Synonyms:4-Fluoropicolinic acid;886371-78-4;4-Fluoropyridine-2-carboxylic acid;4-FLUORO-2-PYRIDINECARBOXYLIC ACID;4-fluoro-pyridine-2-carboxylic acid;MFCD07374895;4-Fluoropicolinicacid;SCHEMBL231979;DTXSID00592834;DOJINJNLDNIFBN-UHFFFAOYSA-N;AMY12510;CL0347;AKOS005063386;AB40659;CS-W022184;AS-45944;SY009049;DB-001298;EN300-103100;A861641;J-515426

Chemical Property of 4-Fluoropicolinic acid

Chemical Property:

• Boiling Point: 292.3 °C at 760 mmHg
• PKA: 3.39±0.10(Predicted)
• Flash Point: 130.6 °C
• PSA: 50.19000
• Density: 1.419 g/cm³
• LogP: 0.91890
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 141.02260653
• Heavy Atom Count: 10
• Complexity: 140

Purity/Quality:

99%Min ^*data from raw suppliers

4-fluoropyridine-2-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(C=C1F)C(=O)O

Technology Process of 4-Fluoropicolinic acid

There total 1 articles about 4-Fluoropicolinic 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: 93.0%

2-Picolinic acid (98-98-6) → 4-fluoropyridine-2-carboxylic acid (886371-78-4)

Guidance literature:

With C₃₈H₄₃CrN₄O₆; cesium fluoride; dibenzoyl peroxide; In N,N-dimethyl-formamide; at 60 ℃; for 8h; Reagent/catalyst; Solvent; Temperature;

Reference yield: 91.0%

4-fluoropyridine-2-carboxylic acid (886371-78-4) → 4-fluoropyridine-2-carboxamide (1172938-55-4)

Guidance literature:

4-fluoropyridine-2-carboxylic acid; With pyridine; chloroformic acid ethyl ester; In tetrahydrofuran; at 0 ℃; for 0.5h;

With ammonium formate; In tetrahydrofuran; for 0.5h; Reagent/catalyst;

Reference yield: 85.0%

4-fluoropyridine-2-carboxylic acid (886371-78-4) + (R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine hydrochloride → 4-fluoro-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]pyridine-2-carboxamide

Guidance literature:

With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1021/acs.jmedchem.9b01658

upstream raw materials:

2-Picolinic acid

Downstream raw materials:

4-fluoropyridine-2-carboxamide

Refernces