2-Fluoropyridine-3-boronic acid

Base Information

• Chemical Name: 2-Fluoropyridine-3-boronic acid
• CAS No.: 174669-73-9
• Molecular Formula: C5H5BFNO2
• Molecular Weight: 140.91
• Hs Code.: 29333990
• European Community (EC) Number: 626-841-9
• DSSTox Substance ID: DTXSID30382548
• Nikkaji Number: J1.702.371C
• Wikidata: Q72476854
• ChEMBL ID: CHEMBL3236608
• Mol file: 174669-73-9.mol

Synonyms:Hexane;Hexanes;Isohexane;Isohexanes

Chemical Property of 2-Fluoropyridine-3-boronic acid

Chemical Property:

• Appearance/Colour: White powder
• Vapor Pressure: 0.000114mmHg at 25°C
• Melting Point: 172 °C
• Refractive Index: 1.507
• Boiling Point: 322.6 °C at 760 mmHg
• PKA: 6.68±0.58(Predicted)
• Flash Point: 148.9 °C
• PSA: 53.35000
• Density: 1.34 g/cm³
• LogP: -1.09950
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Solubility.: soluble in Methanol
• 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

2-Fluoropyridin-3-ylboronic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=C(N=CC=C1)F)(O)O
• Uses: Reactant involved in:Heterocyclization eith α-oxocarboxylic acidsSuzuki-Miyaura coupling reactionsAdditionally used as a precursor to biologically active molecules including:Heteroaryl benzylureas with glycogen synthase kinase 3 inhibitory activityCarboxyindoles with HCV NS5B polymerase inhibitory activityPyrazolyl- and thienyl-aminohydantoins with BACE1 inhibitory activity

Technology Process of 2-Fluoropyridine-3-boronic acid

There total 2 articles about 2-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: 80.0%

2-fluoropyridine (372-48-5) → (2-fluoro-pyridin-3-yl)boronic acid (174669-73-9)

Guidance literature:

With n-butyllithium; Trimethyl borate; In tetrahydrofuran; hexane; at -78 - 0 ℃;

DOI:10.1021/ol0362461

Reference yield:

Triisopropyl borate (5419-55-6) + C10H12FNO2Zn → (2-fluoro-pyridin-3-yl)boronic acid (174669-73-9)

Guidance literature:

With copper(I) iodide-lithium chloride; In tetrahydrofuran; at 20 ℃; Schlenk technique; Inert atmosphere;

DOI:10.1002/cctc.201800939

Reference yield: 96.0%

2-amino-7-(2-bromo-4-fluoro-phenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one + (2-fluoro-pyridin-3-yl)boronic acid (174669-73-9) → 2-amino-7-[4-fluoro-2-(2-fluoropyridin-3-yl)phenyl]-4-methyl-7,8-dihydroquinazolin-5(6H)-one

Guidance literature:

With potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,2-dimethoxyethane; water; at 100 ℃; Heating / reflux;

upstream raw materials:

2-fluoropyridine

Triisopropyl borate

Downstream raw materials:

2-(2-fluoro-pyridin-3-yl)-cyclohex-1-enecarboxylic acid ethyl ester

3-benzoyl-1-(4-chloro-butyl)-5-(2-fluoro-pyridin-3-yl)-1H-pyrimidine-2,4-dione

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