Description

3-Iodo-7-(trifluoromethyl)-5-(4-(trifluoromethyl)phenyl)pyrazolo[1,5-a]pyrimidine (CAS No. 911112-17-9) is a high-purity fluorinated heterocyclic compound with the molecular formula C₁₄H₆F₆IN₃. This specialized chemical features a pyrazolo[1,5-a]pyrimidine core substituted with iodine at the 3-position and trifluoromethyl groups at both the 7-position and the para-position of the phenyl ring. Its unique structure makes it valuable for pharmaceutical research, material science, and agrochemical development. The compound is supplied as a stable solid with ≥95% purity (HPLC), packaged under inert conditions to ensure longevity. Suitable for use in cross-coupling reactions, medicinal chemistry studies, and as a building block for advanced fluorinated materials.

Properties

• CAS Number: 911112-17-9
• Complexity: 449
• IUPAC Name: 3-iodo-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
• InChI: InChI=1S/C14H6F6IN3/c15-13(16,17)8-3-1-7(2-4-8)10-5-11(14(18,19)20)24-12(23-10)9(21)6-22-24/h1-6H
• InChI Key: YRPVGIMGVYEDER-UHFFFAOYSA-N
• Exact Mass: 456.95106
• Molecular Formula: C14H6F6IN3
• Molecular Weight: 457.11
• SMILES: C1=CC(=CC=C1C2=NC3=C(C=NN3C(=C2)C(F)(F)F)I)C(F)(F)F
• Topological: 30.2
• Monoisotopic Mass: 456.95106
• Synonyms: 3-Iodo-7-(trifluoromethyl)-5-(4-(trifluoromethyl)phenyl)pyrazolo[1,5-a]pyrimidine, 911112-17-9, 3-iodo-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine, MFCD32196776, SCHEMBL1348367, 3-iodo-7-trifluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidine

Application

This compound serves as a versatile intermediate in medicinal chemistry, particularly in the development of kinase inhibitors and other bioactive molecules targeting CNS disorders. Its electron-deficient pyrazolopyrimidine scaffold makes it valuable for materials science applications, including organic electronics and liquid crystal formulations. Researchers also utilize it as a fluorinated building block in PET radiotracer development and agrochemical research.

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.