4-Fluoropyridine-3-boronic acid

Base Information

• Chemical Name: 4-Fluoropyridine-3-boronic acid
• CAS No.: 860626-80-8
• Molecular Formula: C5H5BFNO2
• Molecular Weight: 140.91
• Hs Code.: 2933399990
• European Community (EC) Number: 819-966-7
• DSSTox Substance ID: DTXSID50382282
• Wikidata: Q82173600
• Mol file: 860626-80-8.mol

Synonyms:860626-80-8;(4-fluoropyridin-3-yl)boronic Acid;4-FLUOROPYRIDINE-3-BORONIC ACID;4-fluoropyridin-3-yl-3-boronic acid;4-Fluoropyridin-3-yl boronic acid;4-fluoro-pyridine-3-boronic acid;4-Fluoropyridine-3-boronicacid;4-fluoropyridin-3-ylboronic acid;SCHEMBL1129426;DTXSID50382282;FJHZOURNTIVCIA-UHFFFAOYSA-N;(4-fluoropyridin-3-yl)boronicAcid;MFCD07368772;AKOS004115040;AB32070;FD10200;AC-27958;CS-0174811;FT-0668730;EN300-4290268;A850669;J-515422

Chemical Property of 4-Fluoropyridine-3-boronic acid

Chemical Property:

• Vapor Pressure: 0.000287mmHg at 25°C
• Refractive Index: 1.507
• Boiling Point: 308.8 °C at 760 mmHg
• PKA: 3.80±0.58(Predicted)
• Flash Point: 140.6 °C
• PSA: 53.35000
• Density: 1.34 g/cm³
• LogP: -1.09950
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 141.0397367
• Heavy Atom Count: 10
• Complexity: 114

Purity/Quality:

99% ^*data from raw suppliers

4-Fluoropyridin-3-yl boronic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=C(C=CN=C1)F)(O)O
• Uses: 4-Fluoropyridin-3-yl Boronic Acid can be used in the preparation of oxadiazolylphenylboronic acid derivatives and analogs for use as fatty acid amide hydrolase inhibitors.

Technology Process of 4-Fluoropyridine-3-boronic acid

There total 1 articles about 4-Fluoropyridine-3-boronic 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: 100.0%

Triisopropyl borate (5419-55-6) + 3-bromo-4-fluoropyridine (116922-60-2) → (4-fluoropyridin-3-yl)boronic acid (860626-80-8)

Guidance literature:

3-bromo-4-fluoropyridine; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.5h; Inert atmosphere;

Triisopropyl borate; In tetrahydrofuran; at 20 ℃; for 0.5h;

Reference yield: 93.0%

(4-fluoropyridin-3-yl)boronic acid (860626-80-8) + diphenyl diselenide (1666-13-3) → 4-fluoro-5-(phenylselanyl)pyridine

Guidance literature:

(4-fluoropyridin-3-yl)boronic acid; diphenyl diselenide; With 1,10-Phenanthroline; copper(II) sulfate; In ethanol; for 0.0166667h; Schlenk technique;

With sodium carbonate; In ethanol; at 20 ℃; for 5h; Schlenk technique;

DOI:10.1016/j.tet.2013.04.124

Reference yield: 56.0%

(4-fluoropyridin-3-yl)boronic acid (860626-80-8) + 1-bromo-4-(imidazol-1-ylmethyl)benzene (72459-46-2) → 3-(4-((1H-imidazol-1-yl)methyl)phenyl)-4-fluoropyridine

Guidance literature:

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In ethanol; water; toluene; for 16h; Heating;

DOI:10.1016/j.bmc.2007.10.094

upstream raw materials:

Triisopropyl borate

3-bromo-4-fluoropyridine

Downstream raw materials:

C₂₂H₂₁FN₆

Refernces