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tert-butyl 7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxylate
$368.00
CAS No.: 1823809-12-6
Catalog No.: 197792
Purity: 95%
MF: C12H19N3O2
MW: 237.303
Storage: 2-8 degree Celsius
SMILES: N1=CC=C2N1CCCN(C2)C(=O)OC(C)(C)C
Catalog No.: 197792
Purity: 95%
MF: C12H19N3O2
MW: 237.303
Storage: 2-8 degree Celsius
SMILES: N1=CC=C2N1CCCN(C2)C(=O)OC(C)(C)C
tert-butyl 7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxylate; CAS No.: 1823809-12-6;tert-butyl 7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxylate. PROPERTIES: tert-butyl 7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxylate is a protected heterocycle with a molecular weight of 270.31 g/mol. This white crystalline solid has a melting point between 110-113 C. The molecule features a pyrazolo[1,5-a][1,4]diazepine ring system with dihydro substitution at positions 7 and 8 and a tert-butyl carbamate protecting group at position 5. 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 moisture. Safety considerations include the carbamate group's potential to release isocyanate under acidic conditions 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 dihydro-substituted pyrazolodiazepine 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-carbamate structure has also been explored in materials science for developing chiral ligands in asymmetric catalysis, leveraging the dihydro substitution'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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