ethyl 2-amino-5-bromo-1,3-oxazole-4-carboxylate


Chemical Name: ethyl 2-amino-5-bromo-1,3-oxazole-4-carboxylate
CAS Number: 914347-40-3
Product Number: AG00GYM1(AGN-PC-07A1HI)
Synonyms:
MDL No:
Molecular Formula: C6H7BrN2O3
Molecular Weight: 235.0354

Identification/Properties


Computed Properties
Molecular Weight:
235.037g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
233.964g/mol
Monoisotopic Mass:
233.964g/mol
Topological Polar Surface Area:
78.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
178
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



Ethyl 2-amino-5-bromooxazole-4-carboxylate is a valuable compound widely utilized in chemical synthesis due to its versatile reactivity and structural properties. In organic chemistry, this compound serves as a key building block for the synthesis of various pharmaceuticals, agrochemicals, and materials. Its unique structure containing both an amino group and a carboxylate ester group makes it a versatile intermediate in the preparation of diverse organic molecules.One common application of Ethyl 2-amino-5-bromooxazole-4-carboxylate is in the construction of heterocyclic compounds. By utilizing its reactive functional groups, chemists can efficiently introduce this moiety into complex structures, enabling the formation of novel heterocycles with diverse pharmacological or biological activities. Additionally, its bromine substituent can further be utilized for various cross-coupling reactions, allowing for further functionalization and modification of the resulting products.Moreover, Ethyl 2-amino-5-bromooxazole-4-carboxylate plays a significant role in medicinal chemistry. It can be used as a precursor in the synthesis of pharmacologically active compounds, including anti-cancer agents, antibiotics, and antiviral drugs. The presence of the oxazole ring in its structure imparts desirable properties to the final products, enhancing their biological efficacy and specificity.Overall, Ethyl 2-amino-5-bromooxazole-4-carboxylate proves to be a valuable tool in chemical synthesis, offering a wide range of applications in the creation of complex organic molecules with promising pharmaceutical and agrochemical properties.