methyl 2,5-dibromo-1,3-thiazole-4-carboxylate


Chemical Name: methyl 2,5-dibromo-1,3-thiazole-4-carboxylate
CAS Number: 914347-25-4
Product Number: AG00H0XT(AGN-PC-05ZTDR)
Synonyms:
MDL No:
Molecular Formula: C5H3Br2NO2S
Molecular Weight: 300.9558

Identification/Properties


Computed Properties
Molecular Weight:
300.952g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
300.823g/mol
Monoisotopic Mass:
298.825g/mol
Topological Polar Surface Area:
67.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
169
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



Methyl 2,5-dibromothiazole-4-carboxylate is a versatile chemical compound commonly used in chemical synthesis for its unique properties and reactivity. This compound serves as a valuable building block in the creation of various pharmaceuticals, agrochemicals, and materials due to its ability to undergo various chemical transformations.In chemical synthesis, Methyl 2,5-dibromothiazole-4-carboxylate can act as a key intermediate in the production of complex molecules such as heterocyclic compounds or biologically active substances. Its structural features make it an important precursor for introducing thiazole and ester moieties into target molecules, allowing for the fine-tuning of their physicochemical properties.Additionally, the presence of bromine atoms in Methyl 2,5-dibromothiazole-4-carboxylate provides opportunities for further functionalization through various substitution reactions, enabling chemists to modify its properties and expand its potential applications in synthetic chemistry. Overall, the strategic incorporation of this compound in chemical synthesis facilitates the efficient and controlled synthesis of a wide range of valuable compounds with diverse functionalities.