ChemicalBook--->CAS DataBase List--->944279-32-7

944279-32-7

944279-32-7 Structure

944279-32-7 Structure
IdentificationBack Directory
[Name]

3-fluoro-4-(3-Morpholinopropoxy)phenylboronic acid
[CAS]

944279-32-7
[Synonyms]

-fluoro-4-(3-Morpholinopropoxy)phenylboronic acid
3-fluoro-4-(3-Morpholinopropoxy)phenylboronic acid
3-fluoro-4-(3-morpholine-1-yl-propoxy)-phenylboronic acid
Boronic acid, B-[3-fluoro-4-[3-(4-morpholinyl)propoxy]phenyl]-
[Molecular Formula]

C13H19BFNO4
[MDL Number]

MFCD22418293
[MOL File]

944279-32-7.mol
[Molecular Weight]

283.1
Chemical PropertiesBack Directory
[Boiling point ]

475.2±55.0 °C(Predicted)
[density ]

1.25±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

7.63±0.17(Predicted)
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Synthesis]

4-(3-(4-broMo-2-fluorophenoxy)propyl)Morpholine

944279-31-6

3-fluoro-4-(3-Morpholinopropoxy)phenylboronic acid

944279-32-7

General procedure for the synthesis of 3-fluoro-4-(3-morpholinopropoxy)benzeneboronic acid from 4-(3-(4-bromo-2-fluorophenoxy)propyl)morpholine: a solution of 4-[3-(4-bromo-2-fluorophenoxy)-propyl]-morpholine (5.08 g, 15.96 mmol) in THF (10 mL) was added slowly and dropwise to a stirred magnesium slurry (582 mg, 1.5 equiv) in a mixture of THF (2 mL) and a small iodine crystal. After the dropwise addition was completed, the reaction mixture was heated to 90°C and maintained for 1 hour. Subsequently, the gray mixture was cooled to -78°C, trimethyl borate (1.2 eq., 2.15 mL) was added dropwise, and the mixture was allowed to warm slowly to room temperature overnight. After the reaction was complete, 2N HCl aqueous solution (60 mL) was added and stirred for 30 minutes, then extracted with ether (2 x 50 mL). Triethylamine was added to the aqueous layer, followed by extraction with ethyl acetate and ether. All organic phases were combined, dried and concentrated to give a brown oily product (3.8 g, 84% yield). The resulting product was used for subsequent reactions without further purification.1H NMR (D6-DMSO) δ 8.08 (2H, br s), 7.55 (1H, t, J = 8.75 Hz), 7.15 (2H, m), 4.04 (2H, t, J = 6.25 Hz), 3.57 (4H, m), 2.37 (6H, m), 1.84 (2H, m). ). LC-MS: rt 1.95 min, m/z 284 ES+.

[References]

[1] Patent: WO2007/80401, 2007, A1. Location in patent: Page/Page column 53-54
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