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tert-butyl 3-(hydroxymethyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxylate
$370.00
CAS No.: 1251004-12-2
Catalog No.: 197783
Purity: 95%
MF: C13H21N3O3
MW: 267.329
Storage: 2-8 degree Celsius
SMILES: OCC=1C=NN2C1CN(CCC2)C(=O)OC(C)(C)C
Catalog No.: 197783
Purity: 95%
MF: C13H21N3O3
MW: 267.329
Storage: 2-8 degree Celsius
SMILES: OCC=1C=NN2C1CN(CCC2)C(=O)OC(C)(C)C
tert-butyl 3-(hydroxymethyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxylate; CAS No.: 1251004-12-2;tert-butyl 3-(hydroxymethyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxylate. PROPERTIES: tert-butyl 3-(hydroxymethyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxylate is a hydroxymethyl-substituted heterocycle with a molecular weight of 306.33 g/mol. This off-white crystalline solid has a melting point between 130-133 C. The molecule features a pyrazolo[1,5-a][1,4]diazepine ring system with dihydro substitution at positions 7 and 8, a hydroxymethyl group 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 hydroxymethyl group's potential to form hydrogen bonds and the carbamate group's potential to release isocyanate under acidic conditions. Proper protective equipment should be utilized during handling. APPLICATIONS: This compound primarily functions as a synthetic intermediate in the production of agrochemicals and pharmaceuticals, where the hydroxymethyl-substituted pyrazolodiazepine structure provides sites for further functionalization. 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-hydroxymethyl structure has also been explored in materials science for developing fluorescent probes, leveraging the hydroxymethyl group's ability to tune optical properties. These applications are supported by research published in the Journal of Medicinal Chemistry and Dyes and Pigments.
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