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877149-80-9

877149-80-9 Structure

877149-80-9 Structure
IdentificationBack Directory
[Name]

N,N-DiMethyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-ethanaMine
[CAS]

877149-80-9
[Synonyms]

N,N-Dimethyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)
1-[2-(Dimethylamino)ethyl]-1H-pyrazole-4-boronic Acid Pinacol Ester
(1-(2-(dimethylamino)ethyl)-1H-pyrazol-4-yl)boronic acid pinacol ester
diMethyl({2-[4-(tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]ethyl})aMine
N,N-DiMethyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-ethanaMine
N,N-dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethanamine
1H-Pyrazole-1-ethanaMine, N,N-diMethyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-
N,N-diMethyl-2-(4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)ethanaMine
N,N-dimethyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)ethan-1-amine
[Molecular Formula]

C13H24BN3O2
[MDL Number]

MFCD16660235
[MOL File]

877149-80-9.mol
[Molecular Weight]

265.16
Chemical PropertiesBack Directory
[Boiling point ]

365.8±22.0 °C(Predicted)
[density ]

1.04±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[pka]

8.93±0.28(Predicted)
[Appearance]

Colorless to light yellow Liquid
Spectrum DetailBack Directory
[Spectrum Detail]

N,N-DiMethyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-ethanaMine(877149-80-9)1HNMR
Hazard InformationBack Directory
[Synthesis]

4-Pyrazoleboronic acid pinacol ester

269410-08-4

2-Dimethylaminoethyl chloride hydrochloride

4584-46-7

N,N-DiMethyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-ethanaMine

877149-80-9

The reaction mixture was suspended in acetonitrile (30 mL) in the presence of cesium carbonate (6.72 g, 20.61 mmol) using 4-pyrazolylboronic acid pinacol ester (2 g, 10.31 mmol) and dimethylaminoethyl chloride hydrochloride (2.227 g, 15.46 mmol). The mixture was heated to reflux for 5 hours and then cooled to room temperature. The reaction solution was diluted with ether and filtered, and the filtrate was concentrated in vacuum to afford N,N-dimethyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)ethanamine (2.61 g, 9.84 mmol, 95% yield) as an amber colored oil, which was used directly in the next step of the reaction.

[References]

[1] Patent: WO2011/54841, 2011, A1. Location in patent: Page/Page column 105
[2] Patent: US2014/45814, 2014, A1. Location in patent: Paragraph 0257; 0258
[3] Patent: WO2017/178416, 2017, A1. Location in patent: Page/Page column 116; 117
[4] Patent: WO2018/73602, 2018, A1. Location in patent: Page/Page column 99
[5] Patent: US2012/208798, 2012, A1. Location in patent: Page/Page column 47
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