ChemicalBook--->CAS DataBase List--->139399-64-7

139399-64-7

139399-64-7 Structure

139399-64-7 Structure
IdentificationBack Directory
[Name]

6-broMoquinolin-8-ol
[CAS]

139399-64-7
[Synonyms]

6-bromoquinolin-8-o
6-broMoquinolin-8-ol
8-Quinolinol, 6-broMo-
6-bromoquinolin-8-ol HBr
[Molecular Formula]

C9H6BrNO
[MDL Number]

MFCD11878495
[MOL File]

139399-64-7.mol
[Molecular Weight]

224.05
Chemical PropertiesBack Directory
[Melting point ]

138-139 °C(Solv: water (7732-18-5); ethanol (64-17-5))
[Boiling point ]

363.2±22.0 °C(Predicted)
[density ]

1.705±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

4.25±0.30(Predicted)
[Appearance]

Off-white to light brown Solid
[InChI]

InChI=1S/C9H6BrNO/c10-7-4-6-2-1-3-11-9(6)8(12)5-7/h1-5,12H
[InChIKey]

IMUJTAIQEBHAMT-UHFFFAOYSA-N
[SMILES]

N1C2C(=CC(Br)=CC=2O)C=CC=1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H335-H315-H302-H319
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Hazard InformationBack Directory
[Uses]

6-Bromo-8-quinolinol is a useful intermediate in the preparation of 3,6-dibromo-8-quinolinol fungicides, which show fungicidal activity against Aspergillus niger, Aspergillus oryzae, Myrothecium verrucaria, Trichoderma viride, and Mucor cirinelloides.
[Synthesis]

6-broMo-8-Methoxyquinoline

103028-32-6

6-broMoquinolin-8-ol

139399-64-7

Under nitrogen protection, 6-bromo-8-methoxyquinoline (Intermediate 49, 59.0 g, 248 mmol) was added to 48% hydrobromic acid solution (500 mL). The reaction mixture was stirred at 145 °C for 24 h and subsequently cooled to room temperature. The reaction was quenched with 2 M sodium hydroxide solution and the pH was adjusted to 7. The reaction mixture was extracted with ethyl acetate (3 x 500 mL). The organic phases were combined, dried over anhydrous sodium sulfate, filtered and concentrated to dryness under reduced pressure. The residue was purified by solvent recrystallization from petroleum ether/methanol mixture to give 6-bromoquinolin-8-ol (Intermediate 50, 35.0 g, 63% yield) as a brown solid. Mass spectrum (electrospray positive ion mode): [M+H]+ m/z = 224.1. 1H NMR (300 MHz, methanol-d4) δ 7.23 (s, 1H), 7.52-7.59 (m, 2H), 8.21 (d, J = X Hz, 1H), 8.82 (d, J = X Hz, 1H).

[References]

[1] Journal of the American Chemical Society, 2005, vol. 127, # 1, p. 74 - 75
[2] Patent: WO2018/178226, 2018, A1. Location in patent: Page/Page column 77
[3] Journal of the Chemical Society, 1957, p. 290,293
Spectrum DetailBack Directory
[Spectrum Detail]

6-broMoquinolin-8-ol(139399-64-7)1HNMR
6-broMoquinolin-8-ol(139399-64-7)1HNMR
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