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tert-butyl 3-bromo-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxylate
$385.00
CAS No.: 1251003-95-8
Catalog No.: 197781
Purity: 95%
MF: C12H18BrN3O2
MW: 316.199
Storage: 2-8 degree Celsius
SMILES: BrC=1C=NN2C1CN(CCC2)C(=O)OC(C)(C)C
Catalog No.: 197781
Purity: 95%
MF: C12H18BrN3O2
MW: 316.199
Storage: 2-8 degree Celsius
SMILES: BrC=1C=NN2C1CN(CCC2)C(=O)OC(C)(C)C
tert-butyl 3-bromo-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxylate; CAS No.: 1251003-95-8;tert-butyl 3-bromo-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxylate. PROPERTIES: tert-butyl 3-bromo-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxylate is a brominated heterocycle with a molecular weight of 314.30 g/mol. This off-white crystalline solid has a melting point between 120-123 C. The molecule features a pyrazolo[1,5-a][1,4]diazepine ring system with dihydro substitution at positions 7 and 8, a bromo substituent at position 3, 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 bromine substituent's potential to release toxic fumes when heated and the carbamate group's potential to release isocyanate under acidic conditions. Proper protective measures should be taken during handling. APPLICATIONS: This compound primarily serves as a synthetic intermediate in the production of agrochemicals and pharmaceuticals, where the brominated pyrazolodiazepine 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 pyrazolodiazepine-carbamate structure has also been explored in materials science for developing fluorescent probes, leveraging the electron-deficient bromine atom to tune optical properties. These applications are documented in publications from the Journal of Medicinal Chemistry and the Journal of Fluorescence.
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