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5-(tert-butyl) 3-ethyl 7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-3,5(6H)-dicarboxylate
$495.00
CAS No.: 1251004-02-0
Catalog No.: 197782
Purity: 95%
MF: C15H23N3O4
MW: 309.366
Storage: 2-8 degree Celsius
SMILES: N1=CC(=C2N1CCCN(C2)C(=O)OC(C)(C)C)C(=O)OCC
Catalog No.: 197782
Purity: 95%
MF: C15H23N3O4
MW: 309.366
Storage: 2-8 degree Celsius
SMILES: N1=CC(=C2N1CCCN(C2)C(=O)OC(C)(C)C)C(=O)OCC
5-(tert-butyl) 3-ethyl 7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-3,5(6H)-dicarboxylate; CAS No.: 1251004-02-0;5-(tert-butyl) 3-ethyl 7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-3,5(6H)-dicarboxylate. PROPERTIES: 5-(tert-butyl) 3-ethyl 7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-3,5(6H)-dicarboxylate is a diesterified heterocycle with a molecular weight of 344.41 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, a tert-butyl ester at position 5, and an ethyl ester at position 3. It demonstrates moderate solubility in common organic solvents such as methanol and acetone but limited water solubility. Proper storage involves keeping in tightly sealed containers at room temperature, protected from light and moisture. Safety considerations include the ester groups' flammability and the heterocycle's general 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 diesterified 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-dicarboxylate structure has also been explored in materials science for developing chiral ligands in asymmetric catalysis, leveraging the ester groups' 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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