CAS 1088994-20-0
:Benzoic acid, 5-methyl-2-(2-pyrimidinyl)-, methyl ester
Description:
Benzoic acid, 5-methyl-2-(2-pyrimidinyl)-, methyl ester, identified by the CAS number 1088994-20-0, is an organic compound characterized by its ester functional group and the presence of both benzoic acid and pyrimidine moieties in its structure. This compound typically exhibits properties common to esters, such as being a colorless to pale yellow liquid or solid, with a pleasant, fruity odor. It is likely to be soluble in organic solvents like ethanol and ether, while having limited solubility in water due to its hydrophobic aromatic and pyrimidine components. The presence of the pyrimidine ring suggests potential biological activity, as pyrimidine derivatives are often involved in pharmaceutical applications. Additionally, the methyl ester group indicates that it may undergo hydrolysis to release benzoic acid and methanol under certain conditions. Overall, this compound's unique structure may confer specific reactivity and potential applications in organic synthesis or medicinal chemistry, although detailed studies would be necessary to fully elucidate its properties and uses.
Formula:C13H12N2O2
InChI:InChI=1S/C13H12N2O2/c1-9-4-5-10(11(8-9)13(16)17-2)12-14-6-3-7-15-12/h3-8H,1-2H3
InChI key:InChIKey=CLMWIPNRUDBNEW-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(C=CC(C)=C1)C=2N=CC=CN2
Synonyms:- Methyl 5-methyl-2-(pyrimidin-2-yl)benzoate
- Benzoic acid, 5-methyl-2-(2-pyrimidinyl)-, methyl ester
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