| Identification | Back Directory | [Name]
ABT-494 intermediate | [CAS]
1428243-24-6 | [Synonyms]
Upadacitinib Impurity 1
(3R,4S)-4-ethyl-1,3-Pyrrolidinedicarboxylic
acid 1-(phenylmethyl) ester
1,3-Pyrrolidinedicarboxylic acid, 4-ethyl-, 1-(phenylmethyl) ester, (3R,4S)- | [EINECS(EC#)]
820-324-3 | [Molecular Formula]
C15H19NO4 | [MOL File]
1428243-24-6.mol | [Molecular Weight]
277.32 |
| Chemical Properties | Back Directory | [Boiling point ]
443.9±45.0 °C(Predicted) | [density ]
1.216±0.06 g/cm3(Predicted) | [pka]
4.48±0.40(Predicted) | [InChI]
InChI=1S/C15H19NO4/c1-2-12-8-16(9-13(12)14(17)18)15(19)20-10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3,(H,17,18)/t12-,13+/m1/s1 | [InChIKey]
LKPALAXKZXXURJ-OLZOCXBDSA-N | [SMILES]
N1(C(OCC2=CC=CC=C2)=O)C[C@@H](CC)[C@@H](C(O)=O)C1 |
| Hazard Information | Back Directory | [Uses]
ABT-494 intermediate ((3R,4S)-4-ethyl-1,3-Pyrrolidinedicarboxylic acid 1-(phenylmethyl) ester) is an intermediate of Upadacitinib, which is a Selective JAK-1 Inhibitor.
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