methyl 3,6-dibromopyrazine-2-carboxylate


Chemical Name: methyl 3,6-dibromopyrazine-2-carboxylate
CAS Number: 13301-04-7
Product Number: AG0011JJ(AGN-PC-07CNAC)
Synonyms:
MDL No: MFCD11976863
Molecular Formula: C6H4Br2N2O2
Molecular Weight: 295.9162

Identification/Properties


Properties
MP:
66 - 68 °C
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
295.918g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
295.862g/mol
Monoisotopic Mass:
293.864g/mol
Topological Polar Surface Area:
52.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
179
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



Methyl 3,6-dibromopyrazine-2-carboxylate is a versatile compound used in chemical synthesis for its unique reactivity and functional group compatibility. With its specific structure containing both bromine and ester groups, this compound serves as a valuable building block in organic chemistry transformations. In the field of medicinal chemistry, Methyl 3,6-dibromopyrazine-2-carboxylate is utilized for the synthesis of novel pharmaceutical compounds due to its ability to participate in diverse reactions such as Suzuki coupling, nucleophilic substitution, and cross-coupling reactions, leading to the creation of complex molecular structures with potential biological activities. Additionally, this compound can be employed in the modification of natural products, materials science, and the development of agrochemicals, showcasing its significance in advancing various areas of chemical research and application.