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1060816-22-9

1060816-22-9 Structure

1060816-22-9 Structure
IdentificationBack Directory
[Name]

5-Oxazolecarboxylic acid, 2-bromo-, ethyl ester
[CAS]

1060816-22-9
[Synonyms]

2-bromooxazoL
Ethyl 2-broMo-oxazol-5-carboxylate
Ethyl 2-broMooxazole-5-carboxylate
ethyl 2-broMo-1,3-oxazole-5-carboxylate
2-Bromo-5-oxazolecarboxylic acid ethyl ester
2-BroMo-oxazole-5-carboxylic acid ethyl ester
5-Oxazolecarboxylic acid, 2-bromo-, ethyl ester
[Molecular Formula]

C6H6BrNO3
[MDL Number]

MFCD09743496
[MOL File]

1060816-22-9.mol
[Molecular Weight]

220.02
Chemical PropertiesBack Directory
[Boiling point ]

272.2±32.0 °C(Predicted)
[density ]

1.617±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Store in freezer, under -20°C
[pka]

-2?+-.0.10(Predicted)
[Appearance]

Off-white to yellow Solid
[InChI]

InChI=1S/C6H6BrNO3/c1-2-10-5(9)4-3-8-6(7)11-4/h3H,2H2,1H3
[InChIKey]

VZYKDUOPMKESLS-UHFFFAOYSA-N
[SMILES]

O1C(C(OCC)=O)=CN=C1Br
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H335-H302+H312+H332-H315
[Precautionary statements ]

P280-P301+P312-P305+P351+P338
[HS Code ]

2934999090
Hazard InformationBack Directory
[Uses]

Ethyl 2-bromooxazole-5-carboxylate is an organic synthesis intermediate. In the synthesis of novel topoisomerase II inhibitors (such as IID432), this compound serves as a coupling substrate for the construction of the oxazole ring core structure [1].
[References]

[1] Olivier René, Manuel Saldivia, Maxime Dauphinais, et al. (2026). Discovery of IID432 for Chagas Disease: A Cyanotriazole Inhibitor of Trypanosoma cruzi Topoisomerase II Achieves Sterile Cure After Short-Term Treatment in a Chronic Infection Model. Journal of medicinal chemistry, 69(2), 1135–1153. https://doi.org/10.1021/acs.jmedchem.5c02459
Spectrum DetailBack Directory
[Spectrum Detail]

5-Oxazolecarboxylic acid, 2-bromo-, ethyl ester(1060816-22-9)1HNMR
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