Description

Benzyl (1R,2S)-1-(3,5-bis(trifluoromethyl)phenyl)-1-hydroxypropan-2-ylcarbamate (CAS No. 877384-16-2) is a high-purity chiral compound with the molecular formula C₁₉H₁₇F₆NO₃, designed for advanced research and pharmaceutical applications. This carbamate derivative features a stereospecific (1R,2S) configuration and incorporates electron-withdrawing trifluoromethyl groups, enhancing its reactivity and utility in asymmetric synthesis. The compound is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring optimal performance in catalysis, medicinal chemistry, and ligand design. Its unique structural properties make it a valuable intermediate for developing bioactive molecules, particularly in the synthesis of enzyme inhibitors and receptor modulators. Store under inert conditions at 2-8°C to maintain stability.

Properties

• CAS Number: 877384-16-2
• Complexity: 511
• IUPAC Name: benzyl N-[(1S,2R)-2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-1-methyl-ethyl]carbamate
• InChI: InChI=1S/C19H17F6NO3/c1-11(26-17(28)29-10-12-5-3-2-4-6-12)16(27)13-7-14(18(20,21)22)9-15(8-13)19(23,24)25/h2-9,11,16,27H,10H2,1H3,(H,26,28)/t11-,16-/m0/s1
• InChI Key: AWBAPOAGBOTVOQ-ZBEGNZNMSA-N
• Exact Mass: 421.11126238
• Molecular Formula: C19H17F6NO3
• Molecular Weight: 421.3
• SMILES: C[C@@H]([C@@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O)NC(=O)OCC2=CC=CC=C2
• Topological: 58.6
• Monoisotopic Mass: 421.11126238
• Synonyms: 877384-16-2, benzyl (1R,2S)-1-(3,5-bis(trifluoromethyl)phenyl)-1-hydroxypropan-2-ylcarbamate, Benzyl ((1R,2S)-1-(3,5-bis(trifluoromethyl)phenyl)-1-hydroxypropan-2-yl)carbamate, benzyl N-[(1R,2S)-1-[3,5-bis(trifluoromethyl)phenyl]-1-hydroxypropan-2-yl]carbamate, Benzyl {(1R,2S)-1-[3,5-bis(trifluoromethyl)phenyl]-1-hydroxypropan-2-yl}carbamate, SCHEMBL13394496, DTXSID50470678, AWBAPOAGBOTVOQ-ZBEGNZNMSA-N, Benzyl ((1R,2S)-1-(3,5-bis(trifluoromethyl)-phenyl)-1-hydroxypropan-2-yl)carbamate, BCP18687, AKOS016005660, DB-077092, C90998, benzyl(1R,2S)-1-(3,5-bis(trifluoromethyl)phenyl)-1-hydroxypropan-2-ylcarbamate

Application

This compound serves as a key chiral building block in asymmetric organic synthesis, particularly for the preparation of pharmacologically active molecules. Its trifluoromethyl groups enhance lipophilicity and metabolic stability, making it suitable for drug discovery targeting CNS and inflammatory diseases. Researchers utilize it in the development of enzyme inhibitors and as a ligand in transition-metal catalysis.

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.