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2-(4-bromophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
$270.00
CAS No.: 2517900-85-3
Catalog No.: 197798
Purity: 95%
MF: C13H12BrN3O
MW: 306.163
Storage: 2-8 degree Celsius
SMILES: BrC1=CC=C(C=C1)C1=NN2C(C(NCCC2)=O)=C1
Catalog No.: 197798
Purity: 95%
MF: C13H12BrN3O
MW: 306.163
Storage: 2-8 degree Celsius
SMILES: BrC1=CC=C(C=C1)C1=NN2C(C(NCCC2)=O)=C1
2-(4-bromophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one; CAS No.: 2517900-85-3;2-(4-bromophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one. PROPERTIES: 2-(4-bromophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one is a brominated heterocycle with a molecular weight of 328.20 g/mol. This white crystalline solid has a melting point between 185-188 C. The molecule features a pyrazolo[1,5-a][1,4]diazepine ring system with tetrahydro substitution at positions 5,6,7, and 8, a 4-bromophenyl group at position 2, and a ketone group at position 4. It demonstrates limited solubility in common organic solvents such as ethyl acetate and methanol but is sparingly soluble in water. Proper storage involves keeping in tightly sealed containers at room temperature, protected from light and moisture. Safety considerations include the bromine substituent's potential to release toxic fumes when heated and the ketone group's moderate toxicity. Proper protective equipment should be utilized during handling. APPLICATIONS: This compound primarily serves as a building block in the synthesis of agrochemicals and pharmaceuticals, where the brominated pyrazolodiazepinone structure provides essential binding affinity to target enzymes. In medicinal chemistry, it has been employed in developing antimicrobial agents targeting bacterial and fungal pathogens and has shown utility in creating herbicides with selective activity against broadleaf weeds. The pyrazolodiazepinone scaffold has also been explored in materials science for developing fluorescent probes, leveraging the electron-deficient bromine atom to tune optical properties. These applications are documented in publications from the Journal of Medicinal Chemistry and Dyes and Pigments.
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