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262444-42-8

262444-42-8 Structure

262444-42-8 Structure
IdentificationBack Directory
[Name]

tert-butyl-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-ioxaborolan-2-yl)phenylcarbamate
[CAS]

262444-42-8
[Synonyms]

N-Boc-4-amino-3-fluorophenylboronic acid pi
4-(BOC-amino)-3-fluorophenylboronic acid,pinacol
N-Boc-4-amino-3-fluorophenylboronic Acid Pinacol Ester
N-Boc-4-amino-3-fluoro-benzeneboronic acid picol ester
N-Boc-4-amino-3-fluoro-benzeneboronic acid pinacol ester
4-(BOC-amino)-3-fluorophenyl boronic acid, pinacol ester
4-(Boc-aMino)-3-fluorobenzeneboronic acid pinacol ester, 96%
N-[2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
t-Butyl 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbamate
tert-butyl N-[2-fluoro-4-(tetraMethyl-1,3,2- dioxaborolan-2-yl)phenyl]carbaMate
N-tert-butyl-N-[2-fluoro-4-(tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbaMate
tert-butyl-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-ioxaborolan-2-yl)phenylcarbamate
tert-butyl N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamic acid tert-butyl ester
Carbamic acid, N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, 1,1-dimethylethyl ester
[Molecular Formula]

C17H25BFNO4
[MDL Number]

MFCD09033883
[MOL File]

262444-42-8.mol
[Molecular Weight]

337.197
Chemical PropertiesBack Directory
[Boiling point ]

376.6±37.0 °C(Predicted)
[density ]

1.11
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[pka]

12.91±0.70(Predicted)
[Appearance]

White to off-white Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2931900090
Spectrum DetailBack Directory
[Spectrum Detail]

4-(Boc-aMino)-3-fluorobenzeneboronic acid pinacol ester(262444-42-8)1HNMR
4-(Boc-aMino)-3-fluorobenzeneboronic acid pinacol ester(262444-42-8)19FNMR
Hazard InformationBack Directory
[Synthesis]

Pinacol

76-09-5

4-N-Boc-amino-3-fluorophenylboronic acid

218301-87-2

4-(Boc-aMino)-3-fluorobenzeneboronic acid pinacol ester

262444-42-8

Step 3: 15 g (59 mmol) of (4-((tert-butoxycarbonyl)amino)-3-fluorophenyl)boronic acid obtained from step 2 was reacted with 14 g (118 mmol) of pinacol in methanol for 1 h at room temperature with stirring. The progress of the reaction was monitored by thin layer chromatography (TLC) and after confirming that the reaction was complete, 45 mL of water was added to the reaction mixture and the oily material started to crystallize after grinding. The precipitate was collected by filtration, washed with 70% methanol and dried to give 16 g (48 mmol) of N-Boc-3-fluoro-4-aminophenylboronic acid pinacol ester in 81% yield. The product was characterized by 1H-NMR (DMSO, 300 MHz): δ 9.11 (s, 1H), 7.73 (t, 1H), 7.38 (d, 1H), 7.28 (d, 1H), 1.43 (s, 9H), 1.25 (s, 12H).

[References]

[1] Patent: EP1878726, 2008, A1. Location in patent: Page/Page column 38
[2] Patent: WO2007/147574, 2007, A1. Location in patent: Page/Page column 56
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