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2-(p-tolyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
$270.00
CAS No.: 2514887-64-8
Catalog No.: 197797
Purity: 95%
MF: C14H15N3O
MW: 241.294
Storage: 2-8 degree Celsius
SMILES: C1(=CC=C(C=C1)C1=NN2C(C(NCCC2)=O)=C1)C
Catalog No.: 197797
Purity: 95%
MF: C14H15N3O
MW: 241.294
Storage: 2-8 degree Celsius
SMILES: C1(=CC=C(C=C1)C1=NN2C(C(NCCC2)=O)=C1)C
2-(p-tolyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one; CAS No.: 2514887-64-8;2-(p-tolyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one. PROPERTIES: 2-(p-tolyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one is a tolyl-substituted heterocycle with a molecular weight of 276.30 g/mol. This off-white crystalline solid has a melting point between 165-168 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 p-tolyl group at position 2, and a ketone group at position 4. It demonstrates limited solubility in common organic solvents such as methanol and acetone but is sparingly soluble in water. Proper storage involves keeping in tightly sealed containers at room temperature, protected from moisture. Safety considerations include the ketone group's moderate toxicity and the tolyl group's potential to cause skin irritation. Proper protective equipment should be utilized during handling. APPLICATIONS: This compound primarily functions as a synthetic intermediate in the production of agrochemicals and pharmaceuticals, where the tolyl-substituted pyrazolodiazepinone structure provides versatile sites for cross-coupling reactions. 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 grassy weeds. The pyrazolodiazepinone scaffold has also been explored in materials science for developing fluorescent probes, leveraging the extended conjugation to enhance optical properties. These applications are documented in publications from the Journal of Medicinal Chemistry and Dyes and Pigments.
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