CAS 77093-96-0

3-(2-Bromoethyl)-2,4(1H,3H)-quinazolinedione

Description:

3-(2-Bromoethyl)-2,4(1H,3H)-quinazolinedione, identified by its CAS number 77093-96-0, is a chemical compound that belongs to the quinazoline family. This compound features a quinazoline backbone, which is a bicyclic structure composed of a benzene ring fused to a pyrimidine ring. The presence of a bromoethyl group at the 3-position introduces notable reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions. The compound is characterized by its ability to participate in biological activities, which may include antimicrobial or anticancer properties, although specific biological data may vary. Its physical properties, such as solubility and melting point, are influenced by the functional groups present and the overall molecular structure. As with many halogenated compounds, it may exhibit unique interactions with biological systems, warranting further investigation for potential applications in medicinal chemistry or material science. Safety data should be consulted due to the presence of bromine, which can pose health risks.

Formula: C₁₀H₉BrN₂O₂

InChI: InChI=1S/C10H9BrN2O2/c11-5-6-13-9(14)7-3-1-2-4-8(7)12-10(13)15/h1-4H,5-6H2,(H,12,15)

InChI key: InChIKey=HDTBGSPQYIYDES-UHFFFAOYSA-N

SMILES: O=C1C=2C(NC(=O)N1CCBr)=CC=CC2

Synonyms:

• 2,4(1H,3H)-Quinazolinedione, 3-(2-bromoethyl)-
• 3-(2-Bromoethyl)-1H-quinazoline-2,4-dione
• 3-(β-Bromoethyl)-2,4(1H,3H)-quinazolinedione
• 3-(2-Bromoethyl)-2,4(1H,3H)-quinazolinedione