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CAS 1427175-13-0

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1-Pyrrolidinecarboxylic acid, 2-(aminomethyl)-4,4-difluoro-, (2S)-, 1,1-dimethylethyl ester, compd. with benzenesulfonate (1:1)

Description:
1-Pyrrolidinecarboxylic acid, 2-(aminomethyl)-4,4-difluoro-, (2S)-, 1,1-dimethylethyl ester, compound with benzenesulfonate (1:1) is a complex organic compound characterized by its pyrrolidine ring structure, which contributes to its cyclic and potentially chiral properties. The presence of difluoro substituents indicates that it may exhibit unique electronic and steric characteristics, influencing its reactivity and interactions. The compound features an ester functional group, which typically enhances lipophilicity and may affect solubility in organic solvents. The benzenesulfonate component suggests that this compound may have applications in medicinal chemistry, potentially serving as a prodrug or enhancing bioavailability. Additionally, the (2S)-configuration indicates stereochemical specificity, which is crucial in biological systems, as enantiomers can exhibit different pharmacological effects. Overall, this compound's unique structural features and functional groups suggest potential utility in pharmaceutical applications, particularly in the development of therapeutics targeting specific biological pathways.
Formula:C10H18F2N2O2·C6H6O3S
InChI:InChI=1S/C10H18F2N2O2.C6H6O3S/c1-9(2,3)16-8(15)14-6-10(11,12)4-7(14)5-13;7-10(8,9)6-4-2-1-3-5-6/h7H,4-6,13H2,1-3H3;1-5H,(H,7,8,9)/t7-;/m0./s1
InChI key:InChIKey=ZZGFUBQWBPPVOO-FJXQXJEOSA-N
SMILES:C(OC(C)(C)C)(=O)N1[C@H](CN)CC(F)(F)C1.S(=O)(=O)(O)C1=CC=CC=C1
Synonyms:
  • 1-Pyrrolidinecarboxylic acid, 2-(aminomethyl)-4,4-difluoro-, (2S)-, 1,1-dimethylethyl ester, compd. with benzenesulfonate (1:1)
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