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2-FLUOROPYRIDINE-4-BORONIC ACID

2-Fluoropyridine-4-boronic acid

CAS: 401815-98-3

Molecular Formula: C5H5BFNO2

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2-FLUOROPYRIDINE-4-BORONIC ACID - Names and Identifiers

Name 2-Fluoropyridine-4-boronic acid
Synonyms 4-Borono-2-fluoropyridine
2-Fluoropyridine-Boronic Acid
2-Fluoropyridine-4-boronic acid
2-FLUOROPYRIDINE-4-BORONIC ACID
2-FLUORO-4-PYRIDINEBORONIC ACID
2-FLUOROPYRIDIN-4-YLBORONIC ACID
2-fluoropyridin-4-ylboronic acid
2-FLUORO-4-PYRIDINYLBORONIC ACID
(2-Fluoropyridin-4-yl)boronic acid
2-fluoropyridin-4-yl-4-boronic acid
Boronic acid, B-(2-fluoro-4-pyridinyl)-
Boronic acid, (2-fluoro-4-pyridinyl)- (9CI)
CAS 401815-98-3
EINECS 640-138-4
InChI InChI=1/C5H5BFNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3,9-10H

2-FLUOROPYRIDINE-4-BORONIC ACID - Physico-chemical Properties

Molecular FormulaC5H5BFNO2
Molar Mass140.91
Density1.34±0.1 g/cm3(Predicted)
Melting Pointca 195℃
Boling Point326.8±52.0 °C(Predicted)
Flash Point151.5°C
Solubility soluble in Methanol
Vapor Presure8.55E-05mmHg at 25°C
AppearanceSolid
ColorWhite to Almost white
pKa6.51±0.10(Predicted)
Storage ConditionInert atmosphere,Store in freezer, under -20°C
Refractive Index1.507
MDLMFCD04112534

2-FLUOROPYRIDINE-4-BORONIC ACID - Risk and Safety

Risk Codes36/37/38 - Irritating to eyes, respiratory system and skin.
Safety DescriptionS26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37 - Wear suitable gloves.
HS Code29339900
Hazard NoteIrritant

2-FLUOROPYRIDINE-4-BORONIC ACID - Reference Information

Uses 2-fluoro-4-pyridine boronic acid is a pyridine derivative, which can be used as an intermediate in organic synthesis, and is mainly used for pyridine-containing drug molecules and bioactive molecules Structural modification and derivatization.
preparation
preparation steps of 2-fluoro-4-pyridine boronic acid: in the environment of high purity nitrogen, inject 0.0163 mol of 2-fluoro-4-iodopyridine into the experimental reactor, add appropriate amount of tributyl borate and analytically pure tetrahydrofuran, adjust the experimental temperature to 70 ℃, then use a dropping funnel to continue to inject n-butyl lithium solution into the reaction bottle (a slow dropping method should be used in the experiment), and when the reaction solution gradually turns black, continue to maintain a low temperature for 2 h. When the temperature gradually rises to 0 ℃, dilute hydrochloric acid with a mass fraction of 10% (the same below) is added dropwise for hydrolysis, and the pH value of the solution is adjusted to 1.0. Use sodium hydroxide with mass fraction of 25% to adjust the pH value of the solution to 13.0, extract the water-soluble substances in the organic phase, and merge with the separated water phase. Remove organic impurities with n-hexane, and then adjust the pH value of the solution to 9.0 with 10% dilute hydrochloric acid. Add a certain amount of THF to the solution, then add solid sodium chloride to it until the solution reaches saturation, and stir for 1h. Separating again, taking the upper organic phase, taking out the solid under reduced pressure and rotary steaming on a rotary evaporator, purifying and drying to obtain 3.05g product with a yield of 83.11%.
Last Update:2024-04-09 20:52:54
2-FLUOROPYRIDINE-4-BORONIC ACID
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