ChemicalBook--->CAS DataBase List--->54675-23-9

54675-23-9

54675-23-9 Structure

54675-23-9 Structure
IdentificationBack Directory
[Name]

6-broMo-4-hydroxyquinolin-2(1H)-one
[CAS]

54675-23-9
[Synonyms]

6-bromoquinoline-2,4-diol
6-Bromo-4-hydroxycarbostyril
6-Bromo-4-hydroxyquinolin-2(1H)
6-Bromo-4-hydroxy-1H-quinolin-2-one
6-broMo-4-hydroxyquinolin-2(1H)-one
6-broMo-4-hydroxy-291H)-quinolinone
6-Bromo-4-hydroxy-2(1H)-quinolinone
2(1H)-Quinolinone, 6-bromo-4-hydroxy-
[Molecular Formula]

C9H6BrNO2
[MDL Number]

MFCD11847588
[MOL File]

54675-23-9.mol
[Molecular Weight]

240.05
Chemical PropertiesBack Directory
[Melting point ]

211-212 °C
[Boiling point ]

451.3±45.0 °C(Predicted)
[density ]

1.801±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

4.50±1.00(Predicted)
[Appearance]

Off-white to light brown Solid
[InChI]

InChI=1S/C9H6BrNO2/c10-5-1-2-7-6(3-5)8(12)4-9(13)11-7/h1-4H,(H2,11,12,13)
[InChIKey]

DQFPMEMMMGZBKU-UHFFFAOYSA-N
[SMILES]

N1C2=C(C=C(Br)C=C2)C(O)=CC1=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H335-H319
[Precautionary statements ]

P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
[HS Code ]

2933499090
Hazard InformationBack Directory
[Uses]

6-broMo-4-hydroxyquinolin-2(1H)-one can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical production processes.
[Synthesis]

Synthesis_54675-23-9
Literature [Synthetic Communications 2010, 40, 732] in accordance with the general method described, 4-bromoaniline (30.0 g, 174 mmol) and 2,2-dimethyl-l, 3-dioxane-4,6-dione ( 25.1 g, was heated in 174 mmol) in 80 for 1.5 hours, cooled to ambient temperature, 3 - ((4-bromophenyl) amino) -3-oxo-propane to give the acid.By removing the acetone by-product under vacuum to give the intermediate product as a dry solid.It was added to Eaton's Reagent (100 mL) to the solid, the mixture obtained in and then heated to 70 overnight, cooled to room temperature.The mixture was poured into water, the brown precipitate was filtered, and rinsed with water.With ethanol, the brown precipitate tree illustration in the tube, and then filtered to give the title compound as a light brown solid.
[References]

[1] Patent: WO2007/70818, 2007, A1. Location in patent: Page/Page column 101-102
[2] Synthetic Communications, 2010, vol. 40, # 5, p. 732 - 738
[3] Patent: WO2013/74386, 2013, A2. Location in patent: Page/Page column 64
[4] Patent: US2014/107094, 2014, A1. Location in patent: Paragraph 0585; 0586
[5] Patent: US2015/105372, 2015, A1. Location in patent: Paragraph 0248; 0249
Spectrum DetailBack Directory
[Spectrum Detail]

6-broMo-4-hydroxyquinolin-2(1H)-one(54675-23-9)1HNMR
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