ChemicalBook--->CAS DataBase List--->1002309-52-5

1002309-52-5

1002309-52-5 Structure

1002309-52-5 Structure
IdentificationBack Directory
[Name]

2(1H)-PYRIDINONE, 1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-
[CAS]

1002309-52-5
[Synonyms]

N-Methyl-1H-pyridin-2-one-5-boronic acid, pinacol ester
1-Methyl-6-oxo-1,6-dihydropyridine-3-boronic Acid Pinacol Ester
1-methyl-6-oxo-1,6-dihydropyridin-3-ylboronic acid pinacol ester
1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2(1H)-PYRIDINONE
1-Methyl-5-(tetraMethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydropyridin-2-one
1-Methyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one
1-METHYL-5-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-1H-PYRIDIN-2-ONE
2(1H)-PYRIDINONE, 1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-
1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one 98%
[Molecular Formula]

C12H18BNO3
[MDL Number]

MFCD11044683
[MOL File]

1002309-52-5.mol
[Molecular Weight]

235.09
Questions And AnswerBack Directory
[Uses]

1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one is a useful research chemical.

Chemical PropertiesBack Directory
[Boiling point ]

287.1±50.0 °C(Predicted)
[density ]

1.09±0.1 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Store in freezer, under -20°C
[form ]

solid
[pka]

0.03±0.62(Predicted)
[color ]

Beige
[InChI]

InChI=1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)9-6-7-10(15)14(5)8-9/h6-8H,1-5H3
[InChIKey]

IJUNZKOKAXJGRQ-UHFFFAOYSA-N
[SMILES]

C1(=O)N(C)C=C(B2OC(C)(C)C(C)(C)O2)C=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H335-H302+H312+H332-H315
[Precautionary statements ]

P280-P301+P312-P302+P352
[HS Code ]

2933399990
Spectrum DetailBack Directory
[Spectrum Detail]

2(1H)-PYRIDINONE, 1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-(1002309-52-5)1HNMR
Hazard InformationBack Directory
[Synthesis]

5-BROMO-1-METHYL-2(1H)-PYRIDINONE

81971-39-3

Bis(pinacolato)diboron

73183-34-3

2(1H)-PYRIDINONE, 1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-

1002309-52-5

A dioxane (5 mL) solution of potassium acetate (270 mg, 2.67 mmol) and Pd(dppf)Cl2 (80 mg, 0.11 mmol) was added as 5-bromo-1-methylpyridin-2-one (200.0 mg, 1.06 mmol) and bis(pinacolato)diboron (410.0 mg, 1.61 mmol). The reaction mixture was microwaved at 100 °C for 2 hours. After completion of the reaction, the mixture was filtered, washed with water and extracted with ethyl acetate (20 mL x 3). The organic phases were combined, dried with anhydrous sodium sulfate, filtered and concentrated to give the crude product 1-methyl-6-oxo-1,6-dihydropyridine-3-boronic acid pinacol ester (59.0 mg, 23.6% yield). The product was detected by LCMS and the molecular ion peak (M + H)+ was 236.

[References]

[1] Patent: US2015/111885, 2015, A1. Location in patent: Paragraph 0574; 0575
[2] Patent: EP2168965, 2010, A1. Location in patent: Page/Page column 33
[3] Patent: WO2008/8539, 2008, A2. Location in patent: Page/Page column 117-118
[4] Patent: WO2012/3189, 2012, A1. Location in patent: Page/Page column 81
[5] Patent: WO2011/60235, 2011, A1. Location in patent: Page/Page column 22
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