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ChemicalBook--->CAS DataBase List--->886853-93-6

886853-93-6

886853-93-6 Structure

886853-93-6 Structure
IdentificationBack Directory
[Name]

2-Methoxyquinoline-3-boronic acid
[CAS]

886853-93-6
[Synonyms]

3-Borono-2-methoxyquinoline
2-Methoxyquinoline-3-boronic acid
2-Methoxyquinolin-3-ylboronic acid
(2-methoxy-3-quinolinyl)boronic acid
Boronic acid, B-(2-methoxy-3-quinolinyl)-
(2-methoxy-3-quinolinyl)boronic acid(SALTDATA: FREE)
2-Methoxyquinoline-3-boronic acid ISO 9001:2015 REACH
[Molecular Formula]

C10H10BNO3
[MDL Number]

MFCD09800894
[MOL File]

886853-93-6.mol
[Molecular Weight]

203
Chemical PropertiesBack Directory
[Melting point ]

254 °C
[Boiling point ]

414.2±55.0 °C(Predicted)
[density ]

1.29±0.1 g/cm3(Predicted)
[storage temp. ]

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

7.10±0.30(Predicted)
[Appearance]

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


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P271-P280
[Hazard Codes ]

Xi
[HS Code ]

2933499090
Spectrum DetailBack Directory
[Spectrum Detail]

2-Methoxyquinoline-3-boronic acid(886853-93-6)1HNMR
Hazard InformationBack Directory
[Synthesis]

2-Methoxyquinoline

6931-16-4

Triisopropyl borate

5419-55-6

2-Methoxyquinoline-3-boronic acid

886853-93-6

To a solution of tetrahydrofuran (THF, 140 mL) containing 2-methoxyquinoline (10.0 g, 62.8 mmol) and triisopropyl borate (17.86 g, 95.1 mmol) was slowly added a solution of LDA (75.4 mmol) prepared from diisopropylamine (Pr'2NH) and n-butyllithium (n-BuLi) at -78 °C. The reaction mixture was stirred continuously at -78 °C for 4 h, followed by slow warming to room temperature and stirring overnight. Upon completion of the reaction, the reaction was quenched with saturated ammonium chloride (NH4Cl, 68 mL) solution and the pH was adjusted with 3 M hydrochloric acid (HCl) to 5. The organic solvents THF and hexane were removed by vacuum evaporation to give a white solid precipitate of 2-methoxyquinoline-3-boronic acid. The mixture was filtered through a Brinell funnel and the solid product was washed thoroughly with deionized water (H2O) and dried under high vacuum to give the target product (12.11 g, 95% yield). The structure of the product was confirmed by 1H NMR (400 MHz, CDCl3), 13C NMR (400 MHz, CDCl3) and HRMS (EI).1H NMR data: δ8.64 (1H, s), 7.85 (1H, d, J=8.3 Hz), 7.80 (1H, d, J=7.9 Hz), 7.68 (1H, dd, J= 14.1,1.1Hz), 7.41 (1H, t, J=7.5Hz), 5.91 (2H, s, br), 4.18 (3H, s).13C NMR data: δ164.9,149.8,148.1,131.1,128.6,127.4,125.5,124.7,53.9.HRMS (EI) calculated values C10H10BNO3 ([M]+) 203.0754, measured value 203.0758.

[References]

[1] Patent: WO2006/47888, 2006, A1. Location in patent: Page/Page column 73; 131-132
[2] Patent: KR2016/18458, 2016, A. Location in patent: Paragraph 0309; 0312; 0313
[3] European Journal of Medicinal Chemistry, 2010, vol. 45, # 4, p. 1657 - 1662
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