5-Pyrimidinecarboxylic acid, 2,4-dimethyl-, ethyl ester


Chemical Name: 5-Pyrimidinecarboxylic acid, 2,4-dimethyl-, ethyl ester
CAS Number: 2226-86-0
Product Number: AG007OYX(AGN-PC-0JPEWB)
Synonyms:
MDL No:
Molecular Formula: C9H12N2O2
Molecular Weight: 180.2038

Identification/Properties


Computed Properties
Molecular Weight:
180.207g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
180.09g/mol
Monoisotopic Mass:
180.09g/mol
Topological Polar Surface Area:
52.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
185
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



The product Ethyl 2,4-dimethylpyrimidine-5-carboxylate is a valuable building block in chemical synthesis due to its versatile reactivity and functional group compatibility. This compound serves as a key intermediate in the preparation of various pharmaceuticals, agrochemicals, and materials with diverse applications.In the field of medicinal chemistry, Ethyl 2,4-dimethylpyrimidine-5-carboxylate can be utilized in the synthesis of antiviral agents, antimicrobial drugs, and other bioactive compounds. Its unique structure and properties make it an excellent starting material for the construction of complex molecular frameworks with specific biological activities.Furthermore, in the agrochemical industry, this compound plays a crucial role in the development of pesticides, herbicides, and insecticides. Its chemical reactivity allows for the incorporation of different functional groups that enhance the efficacy and selectivity of the final agricultural products.Moreover, Ethyl 2,4-dimethylpyrimidine-5-carboxylate is also valuable in material science for the synthesis of polymers, dyes, and specialty chemicals. Its structural features enable the modification of polymer chains and the creation of novel materials with desired physical and chemical properties.Overall, the application of Ethyl 2,4-dimethylpyrimidine-5-carboxylate in chemical synthesis is essential for the efficient and selective preparation of a wide range of functional molecules with significant industrial and scientific importance.