CAS 874593-98-3

Ethyl 6-(bromomethyl)-1-cyclopropyl-1,2,3,4-tetrahydro-2-oxo-4-phenyl-5-pyrimidinecarboxylate

Description:

Ethyl 6-(bromomethyl)-1-cyclopropyl-1,2,3,4-tetrahydro-2-oxo-4-phenyl-5-pyrimidinecarboxylate is a complex organic compound characterized by its pyrimidine core, which is a six-membered heterocyclic ring containing nitrogen atoms. This compound features a cyclopropyl group, which contributes to its unique three-dimensional structure, and a bromomethyl substituent that enhances its reactivity. The presence of an ethyl ester group indicates that it can undergo hydrolysis or transesterification reactions. The compound's tetrahydro structure suggests it is saturated, which may influence its stability and reactivity compared to unsaturated analogs. Additionally, the phenyl group attached to the pyrimidine ring can provide aromatic stability and may participate in π-π stacking interactions. Overall, this compound's diverse functional groups and structural features make it a potential candidate for various applications in medicinal chemistry and organic synthesis, particularly in the development of pharmaceuticals or agrochemicals. Its specific properties, such as solubility and reactivity, would depend on the surrounding conditions and the presence of other functional groups.

Formula: C₁₇H₁₉BrN₂O₃

InChI: InChI=1S/C17H19BrN2O3/c1-2-23-16(21)14-13(10-18)20(12-8-9-12)17(22)19-15(14)11-6-4-3-5-7-11/h3-7,12,15H,2,8-10H2,1H3,(H,19,22)

InChI key: InChIKey=APJYTDRSOQCJPY-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C=1C(NC(=O)N(C1CBr)C2CC2)C3=CC=CC=C3

Synonyms:

• Ethyl 6-(bromomethyl)-1-cyclopropyl-1,2,3,4-tetrahydro-2-oxo-4-phenyl-5-pyrimidinecarboxylate
• 5-Pyrimidinecarboxylic acid, 6-(bromomethyl)-1-cyclopropyl-1,2,3,4-tetrahydro-2-oxo-4-phenyl-, ethyl ester