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2-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
$300.00
CAS No.: 2517908-41-5
Catalog No.: 197799
Purity: 95%
MF: C13H12ClN3O
MW: 261.712
Storage: 2-8 degree Celsius
SMILES: ClC1=CC=C(C=C1)C1=NN2C(C(NCCC2)=O)=C1
Catalog No.: 197799
Purity: 95%
MF: C13H12ClN3O
MW: 261.712
Storage: 2-8 degree Celsius
SMILES: ClC1=CC=C(C=C1)C1=NN2C(C(NCCC2)=O)=C1
2-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one; CAS No.: 2517908-41-5;2-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one. PROPERTIES: 2-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one is a chlorinated heterocycle with a molecular weight of 310.74 g/mol. This off-white crystalline solid has a melting point between 175-178 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-chlorophenyl 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 chlorine substituent's potential to cause skin irritation and the ketone group's moderate toxicity. Proper protective equipment should be utilized during handling. APPLICATIONS: This compound primarily functions as a building block in the synthesis of agrochemicals and pharmaceuticals, where the chlorinated 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 grassy weeds. The pyrazolodiazepinone scaffold has also been explored in materials science for developing fluorescent probes, leveraging the electron-deficient chlorine 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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