methyl 5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylate


Chemical Name: methyl 5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylate
CAS Number: 914349-71-6
Product Number: AG00GUNR(AGN-PC-07A1GV)
Synonyms:
MDL No:
Molecular Formula: C10H13BrN2O4S
Molecular Weight: 337.1902

Identification/Properties


Properties
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
337.188g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
5
Exact Mass:
335.978g/mol
Monoisotopic Mass:
335.978g/mol
Topological Polar Surface Area:
106A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
334
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

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NMR Spectrum


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Chemical Structure



The compound Methyl 5-bromo-2-((tert-butoxycarbonyl)amino)thiazole-4-carboxylate is a versatile building block in chemical synthesis. It can serve as a key intermediate in the preparation of various pharmaceuticals, agrochemicals, and materials. Its unique structure containing both thiazole and ester functionalities allows for diverse reactions, making it valuable in the synthesis of complex molecules. In organic chemistry, this compound can be used for the introduction of functional groups, construction of heterocyclic frameworks, and modification of peptide sequences. Furthermore, its tert-butoxycarbonyl (Boc) protecting group offers selectivity in reactions, enabling precise control over the synthesis process. Overall, Methyl 5-bromo-2-((tert-butoxycarbonyl)amino)thiazole-4-carboxylate plays a crucial role in the strategic design and assembly of novel compounds with potential biological and material applications.