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5-(tert-butyl) 2-ethyl 3-bromo-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-2,5(6H)-dicarboxylate
$350.00
CAS No.: 1301714-32-8
Catalog No.: 197786
Purity: 95%
MF: C15H22BrN3O4
MW: 388.262
Storage: 2-8 degree Celsius
SMILES: BrC=1C(=NN2C1CN(CCC2)C(=O)OC(C)(C)C)C(=O)OCC
Catalog No.: 197786
Purity: 95%
MF: C15H22BrN3O4
MW: 388.262
Storage: 2-8 degree Celsius
SMILES: BrC=1C(=NN2C1CN(CCC2)C(=O)OC(C)(C)C)C(=O)OCC
5-(tert-butyl) 2-ethyl 3-bromo-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-2,5(6H)-dicarboxylate; CAS No.: 1301714-32-8;5-(tert-butyl) 2-ethyl 3-bromo-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-2,5(6H)-dicarboxylate. PROPERTIES: 5-(tert-butyl) 2-ethyl 3-bromo-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-2,5(6H)-dicarboxylate is a brominated diesterified heterocycle with a molecular weight of 394.30 g/mol. This off-white crystalline solid has a melting point between 105-108 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, a tert-butyl ester at position 5, and an ethyl ester at position 2. 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 light and moisture. Safety considerations include the bromine substituent's potential to release toxic fumes when heated and the ester groups' flammability. Proper protective equipment should be utilized during handling. APPLICATIONS: This compound primarily functions as a synthetic intermediate in the production of pharmaceuticals and specialty chemicals, where the brominated diesterified pyrazolodiazepine structure provides versatile sites for cross-coupling and nucleophilic substitution reactions. In medicinal chemistry, it has been employed in developing antiparasitic agents targeting protozoan infections and has shown utility in creating kinase inhibitors for cancer therapy. The pyrazolodiazepine-dicarboxylate structure has also been explored in materials science for developing nonlinear optical materials, leveraging the polarizable bromine atom and ester groups to enhance optical properties. These applications are supported by research published in the Journal of Medicinal Chemistry and the Journal of Materials Chemistry C.
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