IUPAC Name: | tert-butyl N-[(2R,3S)-2-(2,5-difluorophenyl)-5-oxooxan-3-yl]carbamate |
Description: | (5S,6R)-5-(Boc-amino)-6-(2,5-difluorophenyl)tetrahydropyran-3-one (CAS# 951127-25-6) is a useful synthetic intermediate in the synthesis of Omarigliptin (O633100); a potent and selective dipeptidyl peptidase 4 (DPP-4) inhibitor used for the treatment of type 2 diabetes. |
Molecular Weight: | 327.32 |
Molecular Formula: | C16H19F2NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1CC(=O)COC1C2=C(C=CC(=C2)F)F |
InChI: | InChI=1S/C16H19F2NO4/c1-16(2,3)23-15(21)19-13-7-10(20)8-22-14(13)11-6-9(17)4-5-12(11)18/h4-6,13-14H,7-8H2,1-3H3,(H,19,21)/t13-,14+/m0/s1 |
InChI Key: | OTCULXVRRSCLLI-UONOGXRCSA-N |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD20926096 |
LogP: | 3.27950 |
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