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CAS 1956380-68-9

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3-Pyrrolidinecarboxylic acid, 4-(4-bromophenyl)-, methyl ester, hydrochloride (1:1), (3R,4S)-rel-

Description:
3-Pyrrolidinecarboxylic acid, 4-(4-bromophenyl)-, methyl ester, hydrochloride (1:1), (3R,4S)-rel- is a chemical compound characterized by its pyrrolidine backbone, which is a five-membered nitrogen-containing ring. The presence of a carboxylic acid group and a methyl ester indicates its potential for reactivity and solubility in polar solvents. The compound features a bromophenyl substituent, which can influence its biological activity and lipophilicity due to the bromine atom's electronegativity and steric effects. The hydrochloride form suggests that the compound is a salt, enhancing its stability and solubility in aqueous environments. The specific stereochemistry denoted by (3R,4S) indicates the spatial arrangement of atoms around the chiral centers, which is crucial for its biological interactions and pharmacological properties. Overall, this compound may have applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its structural features that could interact with biological targets.
Formula:C12H14BrNO2·ClH
InChI:InChI=1/C12H14BrNO2.ClH/c1-16-12(15)11-7-14-6-10(11)8-2-4-9(13)5-3-8;/h2-5,10-11,14H,6-7H2,1H3;1H/t10-,11+;/s2
InChI key:InChIKey=SFNPHXYXUPRECO-OGDSCFMUNA-N
SMILES:C(OC)(=O)[C@@H]1[C@H](CNC1)C2=CC=C(Br)C=C2.Cl
Synonyms:
  • 3-Pyrrolidinecarboxylic acid, 4-(4-bromophenyl)-, methyl ester, hydrochloride (1:1), (3R,4S)-rel-
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