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5,6,7,8-tetrahydro-2-phenylpyrazolo[1,5-a][1,4]diazepin-4-one
$270.00
CAS No.: 1246548-90-2
Catalog No.: 197742
Purity: 95%
MF: C13H13N3O
MW: 227.267
Storage: 2-8 degree Celsius
SMILES: C1(=CC=CC=C1)C1=NN2C(C(NCCC2)=O)=C1
Catalog No.: 197742
Purity: 95%
MF: C13H13N3O
MW: 227.267
Storage: 2-8 degree Celsius
SMILES: C1(=CC=CC=C1)C1=NN2C(C(NCCC2)=O)=C1
5,6,7,8-tetrahydro-2-phenylpyrazolo[1,5-a][1,4]diazepin-4-one; CAS No.: 1246548-90-2;5,6,7,8-tetrahydro-2-phenylpyrazolo[1,5-a][1,4]diazepin-4-one. PROPERTIES: 5,6,7,8-tetrahydro-2-phenylpyrazolo[1,5-a][1,4]diazepin-4-one is a fused heterocycle with a molecular weight of 251.29 g/mol. This white crystalline solid has a melting point between 155-158 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 phenyl 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 general toxicity of the heterocyclic structure. Proper protective equipment should be utilized during handling. APPLICATIONS: This compound primarily serves as a synthetic intermediate in the production of agrochemicals and pharmaceuticals, where the tetrahydropyrazolodiazepine structure provides versatile sites for cross-coupling reactions. In medicinal chemistry, it has been employed in developing antifungal agents targeting plant pathogens and has shown utility in creating herbicides with selective activity against broadleaf weeds. The pyrazolodiazepine-ketone structure has also been explored in materials science for developing chiral ligands in asymmetric catalysis, leveraging the phenyl group's steric effects. These applications are documented in publications from the Journal of Agricultural and Food Chemistry and the Journal of Catalysis.
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