1-[(benzyloxy)carbonyl]-4-ethyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid Chemical Properties

Boiling point:

452.3±45.0 °C(Predicted)

Density 

1.267±0.06 g/cm3(Predicted)

pka

4.28±0.20(Predicted)

InChI

InChI=1S/C15H17NO4/c1-2-12-8-16(9-13(12)14(17)18)15(19)20-10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,17,18)

InChIKey

HFBYGZWWAMZBID-UHFFFAOYSA-N

SMILES

N1(C(OCC2=CC=CC=C2)=O)CC(CC)=C(C(O)=O)C1

1-[(benzyloxy)carbonyl]-4-ethyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid Usage And Synthesis

Uses

1-[(benzyloxy)carbonyl]-4-ethyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid is a pharmaceutical intermediate compound used in the synthesis of Upadacitinib, a Janus kinase (JAK) inhibitor approved by the FDA for the treatment of various chronic inflammatory conditions such as moderate-to-severe rheumatoid arthritis (RA), psoriatic arthritis, atopic dermatitis, ankylosing spondylitis, Crohn's disease, and ulcerative colitis.