CAS 832740-12-2

Ethyl 6-(chloromethyl)-1,2,3,4-tetrahydro-4-[4-methoxy-3-(methoxymethyl)phenyl]-2-oxo-5-pyrimidinecarboxylate

Description:

Ethyl 6-(chloromethyl)-1,2,3,4-tetrahydro-4-[4-methoxy-3-(methoxymethyl)phenyl]-2-oxo-5-pyrimidinecarboxylate, identified by its CAS number 832740-12-2, is a synthetic organic compound characterized by its complex structure, which includes a pyrimidine ring and various functional groups. This compound features a chloromethyl group, which enhances its reactivity, and multiple methoxy groups that can influence its solubility and interaction with biological systems. The presence of an ethyl ester group suggests potential applications in medicinal chemistry, particularly in drug development, as esters often exhibit favorable pharmacokinetic properties. The tetrahydro structure indicates that it is a saturated derivative, which may contribute to its stability and bioavailability. Additionally, the compound's unique arrangement of substituents may impart specific biological activities, making it of interest for further research in pharmacology and organic synthesis. Overall, this compound exemplifies the complexity and diversity of synthetic organic molecules used in various chemical and pharmaceutical applications.

Formula: C₁₇H₂₁ClN₂O₅

InChI: InChI=1S/C17H21ClN2O5/c1-4-25-16(21)14-12(8-18)19-17(22)20-15(14)10-5-6-13(24-3)11(7-10)9-23-2/h5-7,15H,4,8-9H2,1-3H3,(H2,19,20,22)

InChI key: InChIKey=NIEHOVBDLOORJM-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C=1C(NC(=O)NC1CCl)C2=CC(COC)=C(OC)C=C2

Synonyms:

• 5-Pyrimidinecarboxylic acid, 6-(chloromethyl)-1,2,3,4-tetrahydro-4-[4-methoxy-3-(methoxymethyl)phenyl]-2-oxo-, ethyl ester
• Ethyl 6-(chloromethyl)-1,2,3,4-tetrahydro-4-[4-methoxy-3-(methoxymethyl)phenyl]-2-oxo-5-pyrimidinecarboxylate