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3-iodo-2-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
$250.00
CAS No.: 1823049-35-9
Catalog No.: 197666
Purity: 95%
MF: C8H9F3IN3
MW: 331.079
Storage: 2-8 degree Celsius
SMILES: IC=1C(=NN2C1CNCCC2)C(F)(F)F
Catalog No.: 197666
Purity: 95%
MF: C8H9F3IN3
MW: 331.079
Storage: 2-8 degree Celsius
SMILES: IC=1C(=NN2C1CNCCC2)C(F)(F)F
3-iodo-2-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine; CAS No.: 1823049-35-9;3-iodo-2-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine. PROPERTIES: 3-iodo-2-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is a halogenated heterocycle with a molecular weight of 398.24 g/mol. This off-white crystalline solid has a melting point between 142-145 C. The molecule features a pyrazolo[1,5-a][1,4]diazepine ring system with tetrahydro substitution, an iodo group at position 3, and a trifluoromethyl group 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 iodine and trifluoromethyl groups' potential to release toxic fumes when heated and the heterocycle's general toxicity. 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 iodinated and trifluoromethyl substituents provide 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 tetrahydropyrazolodiazepine structure has also been explored in materials science for developing nonlinear optical materials, leveraging the polarizable iodine and trifluoromethyl 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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