ChemicalBook--->CAS DataBase List--->1428243-24-6

1428243-24-6

1428243-24-6 Structure

1428243-24-6 Structure
IdentificationBack 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 PropertiesBack 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
Safety DataBack Directory
[REACH Registrations]

Active
Hazard InformationBack Directory
[Description]

(3R,4S)-1-((Benzyloxy)carbonyl)-4-ethylpyrroline-3-carboxylic acid has broad application prospects in drug synthesis, chemical research, materials science and biochemistry.
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

(3R,4S)-1-((Benzyloxy)carbonyl)-4-ethylpyrrolidine-3-carboxylic acid(1428243-24-6)1HNMR
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