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ABT-494 intermediate

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ABT-494 intermediate Basic information

Product Name:
ABT-494 intermediate
Synonyms:
  • 1,3-Pyrrolidinedicarboxylic acid, 4-ethyl-, 1-(phenylmethyl) ester, (3R,4S)-
  • (3R,4S)-4-ethyl-1,3-Pyrrolidinedicarboxylic acid 1-(phenylmethyl) ester
  • Upadacitinib Impurity 1
  • (3R,4S)-1-((benzyloxy)carbonyl)-4-ethylpyrrolidine-3-carboxylate
  • Upadacitinib Impurity 42
  • Clofazimine Impurity 11
  • Upatinib Impurity 42
CAS:
1428243-24-6
MF:
C15H19NO4
MW:
277.32
EINECS:
820-324-3
Mol File:
1428243-24-6.mol
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ABT-494 intermediate Chemical Properties

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
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ABT-494 intermediate Usage And Synthesis

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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