ChemicalBook >> CAS DataBase List >>3-Fluoro-2-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

3-Fluoro-2-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

CAS No.
624741-47-5
Chemical Name:
3-Fluoro-2-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
Synonyms
Butylhydroxyanisole Impurity 11;6-Cyano-2-fluorobenzeneboronicacidpinacolester,96%;(2-CYANO-6-FLUOROPHENYL)BORONIC ACID PINACOL ESTER;6-Cyano-2-fluorobenzeneboronic acid pinacol ester, 96%;3-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ben;3-Fluoro-2-(tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;Benzonitrile, 3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CBNumber:
CB72640757
Molecular Formula:
C13H15BFNO2
Molecular Weight:
247.07
MDL Number:
MFCD18729920
MOL File:
624741-47-5.mol
Last updated:2025-07-24 18:13:51

3-Fluoro-2-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Properties

Boiling point 354.0±32.0 °C(Predicted)
Density 1.12±0.1 g/cm3(Predicted)
storage temp. under inert gas (nitrogen or Argon) at 2-8°C
Appearance White to off-white Solid
Water Solubility Slightly soluble in water.

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictograms
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P280a-P304+P340-P305+P351+P338-P405-P501a
HS Code  2931900090
NFPA 704
0
2 0

3-Fluoro-2-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile price More Price(15)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
TRC F598643 3-Fluoro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile 624741-47-5 100mg $65 2021-12-16 Buy
AK Scientific V6953 3-Fluoro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile 624741-47-5 1g $317 2021-12-16 Buy
Matrix Scientific 092681 3-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile 95+% 624741-47-5 250mg $341 2021-12-16 Buy
American Custom Chemicals Corporation BOR0006622 3-FLUORO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE 95.00% 624741-47-5 1G $573.3 2021-12-16 Buy
Matrix Scientific 092681 3-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile 95+% 624741-47-5 1g $756 2021-12-16 Buy
Product number Packaging Price Buy
F598643 100mg $65 Buy
V6953 1g $317 Buy
092681 250mg $341 Buy
BOR0006622 1G $573.3 Buy
092681 1g $756 Buy

3-Fluoro-2-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Chemical Properties,Uses,Production

Synthesis

Bis(pinacolato)diboron

73183-34-3

2-Bromo-3-fluorobenzonitrile

425379-16-4

3-Fluoro-2-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

624741-47-5

2-Bromo-3-fluorobenzonitrile (1.20 g, 6.00 mmol), dried potassium acetate (1.18 g, 12.0 mmol) and bis(pinacolato)diboron (1.75 g, 6.89 mmol) were mixed in 1,4-dioxane (14.7 ml). The mixture was degassed by nitrogen bubbling for 50 min, followed by addition of dimethyl sulfoxide (0.3 ml). Dichloro[1,1'-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane adduct (0.1481 g, 0.181 mmol) was then added and again degassed for 10 min. The reaction mixture was heated at 90°C for 18 hours in a nitrogen atmosphere. After completion of the reaction, it was cooled to room temperature, filtered through glass fiber paper and the solids were washed with a small amount of dichloromethane. The filtrates were combined and concentrated by vacuum evaporation. The residue was partitioned between 2M NaOH aqueous solution (21 ml) and ether (20 ml). The aqueous layer was acidified to pH 5 with concentrated hydrochloric acid (3 ml) to induce precipitation of the solid. The mixture was allowed to stand in a refrigerator for 3 days, the precipitate was collected by filtration, washed with water and dried in vacuum to give 6-cyano-2-fluorophenylboronic acid pinacol ester (0.9191 g, 62%) as a white solid. The product was characterized by 1H NMR (360 MHz, DMSO-d6): δ 1.34 (12H, s), 7.55-7.59 (1H, m), 7.69-7.75 (2H, m).

References

[1] Patent: WO2003/93272, 2003, A1. Location in patent: Page/Page column 37
[2] Organic Letters, 2011, vol. 13, # 6, p. 1366 - 1369

73183-34-3
425379-16-4
624741-47-5
Synthesis of 3-Fluoro-2-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile from Bis(pinacolato)diboron and 2-Bromo-3-fluorobenzonitrile

3-Fluoro-2-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Preparation Products And Raw materials

3-Fluoro-2-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Suppliers

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3-Fluoro-2-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Spectrum

3-Fluoro-2-(tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile 6-Cyano-2-fluorobenzeneboronic acid pinacol ester, 96% (2-CYANO-6-FLUOROPHENYL)BORONIC ACID PINACOL ESTER Benzonitrile, 3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 6-Cyano-2-fluorobenzeneboronicacidpinacolester,96% 3-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ben Butylhydroxyanisole Impurity 11 624741-47-5