ChemicalBook--->CAS DataBase List--->1228689-61-9

1228689-61-9

1228689-61-9 Structure

1228689-61-9 Structure
IdentificationBack Directory
[Name]

4-Isoxazolecarboxylic acid, 5-(4-broMophenyl)-3-Methyl-, Methyl ester
[CAS]

1228689-61-9
[Synonyms]

methyl 5-(4-bromophenyl)-3-methyl-isoxazole-4-carboxylate
4-Isoxazolecarboxylic acid, 5-(4-broMophenyl)-3-Methyl-, Methyl ester
[Molecular Formula]

C12H10BrNO3
[MDL Number]

MFCD18384841
[MOL File]

1228689-61-9.mol
[Molecular Weight]

296.12
Chemical PropertiesBack Directory
[Boiling point ]

403.9±45.0 °C(Predicted)
[density ]

1.472±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

-4.39±0.50(Predicted)
[Appearance]

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

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[HS Code ]

2934999090
Hazard InformationBack Directory
[Synthesis]

Benzenepropanoic acid, 4-bromo-α-[1-(methylamino)ethylidene]-β-oxo-, methyl ester

1423699-80-2

4-Isoxazolecarboxylic acid, 5-(4-broMophenyl)-3-Methyl-, Methyl ester

1228689-61-9

To a stirred solution of methyl 2-(4-bromobenzoyl)-3-(methylamino)but-2-enoate (0.78 g, 2.5 mmol) in acetic acid (10 mL) was added hydroxylamine hydrochloride (0.17 g, 2.5 mmol) under nitrogen atmosphere. After addition, the reaction mixture was heated to reflux for 2 hours under nitrogen protection. Upon completion of the reaction, the mixture was concentrated under reduced pressure to afford the crude product methyl 5-(4-bromophenyl)-3-methylisoxazole-4-carboxylate (0.66 g, 89% yield), which could be used for subsequent reactions without further purification.

[References]

[1] Patent: WO2013/25733, 2013, A1. Location in patent: Paragraph 0404
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