| Identification | Back Directory | [Name]
1-Pyrrolidinecarboxylic acid, 3-(2-bromoacetyl)-4-ethyl-, phenylmethyl ester, (3R,4S)-rel- | [CAS]
2304514-69-8 | [Synonyms]
Upadacitinib Impurity 34
benzyl (3S,4R)-3-(2-chloroacetyl)-4-ethylpyrrolidine-2-carboxylate
rel-Phenylmethyl (3R,4S)-3-(2-bromoacetyl)-4-ethyl-1-pyrrolidinecarboxylate
1-Pyrrolidinecarboxylic acid, 3-(2-bromoacetyl)-4-ethyl-, phenylmethyl ester, (3R,4S)-rel- | [Molecular Formula]
C16H20BrNO3 | [MOL File]
2304514-69-8.mol | [Molecular Weight]
354.24 |
| Chemical Properties | Back Directory | [Boiling point ]
453.1±45.0 °C(Predicted) | [density ]
1.361±0.06 g/cm3(Predicted) | [pka]
-2.91±0.60(Predicted) | [InChI]
InChI=1/C16H20BrNO3/c1-2-13-9-18(10-14(13)15(19)8-17)16(20)21-11-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3/t13-,14+/s3 | [InChIKey]
QEFUCTKHMXMWRF-JJANDPSINA-N | [SMILES]
N1(C(OCC2=CC=CC=C2)=O)C[C@@H](CC)[C@@H](C(CBr)=O)C1 |&1:12,15,r| |
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