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| IUPAC Name: | tert-butyl N-[1-(2,5-difluorophenyl)-1-oxopent-4-yn-2-yl]carbamate |
| Description: | 2-(Boc-amino)-1-(2,5-difluorophenyl)-4-pentyn-1-one (CAS# 1172623-96-9) is used as a reactant in the preparation of a highly functionalized tetrahydropyran DPP-4 inhibitor. |
| Molecular Weight: | 309.31 |
| Molecular Formula: | C16H17F2NO3 |
| Canonical SMILES: | CC(C)(C)OC(=O)NC(CC#C)C(=O)C1=C(C=CC(=C1)F)F |
| InChI: | InChI=1S/C16H17F2NO3/c1-5-6-13(19-15(21)22-16(2,3)4)14(20)11-9-10(17)7-8-12(11)18/h1,7-9,13H,6H2,2-4H3,(H,19,21) |
| InChI Key: | FCPUEOMVOKWZQD-UHFFFAOYSA-N |
| LogP: | 3.45500 |
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(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
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