CAS:1427587-32-3

Product Name: CAS:1427587-32-3
CAS No.: 1427587-32-3
Chemical Name: CAS:1427587-32-3
Synonyms: CAS:1427587-32-3;1-Methyl-1,2,3,4-tetrahydroquinolin-2-one-6-boronic acid pinacol ester;1-Methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-boronic Acid Pinacol Ester;(1-METHYL-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-6-YL)BORONIC ACID PINACOL ESTER;1-methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroquinolin-2-one;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-2-one;1-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-2(1H)-one;2(1H)-Quinolinone, 3,4-dihydro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CBNumber: CB92741595
Molecular Formula: C16H22BNO3
Formula Weight: 287.16
MOL File: 1427587-32-3.mol

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CAS:1427587-32-3 Property

Boiling point:: 487.3±45.0 °C(Predicted)
Density: 1.12±0.1 g/cm3(Predicted)
storage temp.: under inert gas (nitrogen or Argon) at 2-8°C
pka: 0.65±0.20(Predicted)
Appearance: White to off-white Solid
InChI: InChI=1S/C16H22BNO3/c1-15(2)16(3,4)21-17(20-15)12-7-8-13-11(10-12)6-9-14(19)18(13)5/h7-8,10H,6,9H2,1-5H3
InChIKey: KBKLZANEYMGZGD-UHFFFAOYSA-N
SMILES: N1(C)C2=C(C=C(B3OC(C)(C)C(C)(C)O3)C=C2)CCC1=O

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Hazard and Precautionary Statements (GHS)

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N-Bromosuccinimide Price

TRC

Product number: M340670
Product name: 1-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-2(1H)-one
Packaging: 100mg
Price: $90
Updated: 2021/12/16

TRC

Product number: M340670
Product name: 1-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-2(1H)-one
Packaging: 10mg
Price: $45
Updated: 2021/12/16

Synthonix

Product number: M15176
Product name: 1-Methyl-1,2,3,4-tetrahydroquinolin-2-one-6-boronicacidpinacolester
Purity: 95+%
Packaging: 1g
Price: $1050
Updated: 2021/12/16

AK Scientific

Product number: 1531DW
Product name: 1-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-2(1H)-one
Packaging: 10g
Price: $1748
Updated: 2021/12/16

Matrix Scientific

Product number: 124546
Product name: 1-Methyl-1,2,3,4-tetrahydroquinolin-2-one-6-boronicacidpinacolester
Purity: 95+%
Packaging: 1g
Price: $1848
Updated: 2021/12/16

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CAS:1427587-32-3 Chemical Properties,Usage,Production

Synthesis

1092523-03-9

73183-34-3

1427587-32-3

To a dry reaction flask was added 6-bromo-1-methyl-3,4-dihydroquinolin-2(1H)-one (3 g, 12.5 mmol), pinacol ester of bisboronic acid (3.81 g, 15.0 mmol), potassium acetate (3.68 g, 37.5 mmol), and dioxane (48 mL). Dichloro[1,1'-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane complex (457 mg, 0.625 mmol) was added to the reaction system under argon protection. The reaction mixture was heated to 80 °C and stirred overnight. After completion of the reaction, the reaction mixture was diluted with ethyl acetate, filtered through diatomaceous earth and the filter cake was washed with ethyl acetate (2 x 150 mL). The organic phases were combined, washed with saturated brine, dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure. The residue was purified by silica gel column chromatography using 0 to 40% ethyl acetate-heptane gradient elution to afford the target product 1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-2(1H)-one (2.63 g, 73% yield) as an off-white solid. Mass spectrum (MS): 288.0 (M+H+).

References

[1] Patent: US2013/72679, 2013, A1. Location in patent: Paragraph 0545; 0546
[2] Patent: WO2013/37779, 2013, A1. Location in patent: Page/Page column 74; 75
[3] Patent: WO2013/41591, 2013, A1. Location in patent: Page/Page column 65
[4] Patent: WO2014/139981, 2014, A1. Location in patent: Page/Page column 24; 25
[5] Patent: WO2016/66662, 2016, A1. Location in patent: Page/Page column 31

CAS:1427587-32-3 Preparation Products And Raw materials

Raw materials

Preparation Products

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1427587-32-3, CAS:1427587-32-3Related Search:

CAS:1427587-32-3

1-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-2(1H)-one

1-Methyl-1,2,3,4-tetrahydroquinolin-2-one-6-boronic acid pinacol ester

(1-METHYL-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-6-YL)BORONIC ACID PINACOL ESTER

1-methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroquinolin-2-one

1-Methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-boronic Acid Pinacol Ester

2(1H)-Quinolinone, 3,4-dihydro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-2-one

1427587-32-3