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4-(1,1-Dimethylethyl)-a-[hydroxy[2-(trifluoromethyl)phenyl]methylene]benzeneacetonitrile
For research use only. Not for therapeutic Use.
4-(1,1-Dimethylethyl)-α-[hydroxy(2-(trifluoromethyl)phenyl)methylene]benzeneacetonitrile (Cat No.:C000886) is a chemical compound with a benzeneacetonitrile backbone, substituted with a hydroxy(2-(trifluoromethyl)phenyl)methylene group and a tert-butyl (1,1-dimethyl ethyl) group. This compound is a building block used in organic synthesis and pharmaceutical research. Its unique structural features make it valuable in the development of biologically active molecules. As a result of the trifluoromethyl and hydroxy groups, it may exhibit significant pharmacological properties. Researchers often use it as a starting point for the design and synthesis of potential drug candidates or other valuable compounds.
Catalog Number | C000886 |
CAS Number | 211923-03-4 |
Molecular Formula | C20H18F3NO |
Purity | ≥95% |
Storage | RT,Inert atmosphere |
IUPAC Name | (E)-2-(4-tert-butylphenyl)-3-hydroxy-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile |
InChI | InChI=1S/C20H18F3NO/c1-19(2,3)14-10-8-13(9-11-14)16(12-24)18(25)15-6-4-5-7-17(15)20(21,22)23/h4-11,25H,1-3H3/b18-16- |
InChIKey | OJUJNRSWWAFAGC-VLGSPTGOSA-N |
SMILES | CC(C)(C)C1=CC=C(C=C1)C(=C(C2=CC=CC=C2C(F)(F)F)O)C#N |
Reference | Hayashi, Naotaka., et al.: Pest Management Science,69, 1080 (2013); |