| Identification | Back Directory | [Name]
1-[(benzyloxy)carbonyl]-4-ethyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid | [CAS]
1869118-25-1 | [Synonyms]
1-[(benzyloxy)carbonyl]-4-ethyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid
1H-Pyrrole-1,3-dicarboxylic acid, 4-ethyl-2,5-dihydro-, 1-(phenylmethyl) ester | [EINECS(EC#)]
813-192-3 | [Molecular Formula]
C15H17NO4 | [MDL Number]
MFCD31645823 | [MOL File]
1869118-25-1.mol | [Molecular Weight]
275.3 |
| Chemical Properties | Back Directory | [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 |
| Hazard Information | Back Directory | [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. |
|
|