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CAS 706806-77-1

:

1-(1,1-Dimethylethyl) (2S)-2-[(4-bromophenyl)methyl]-1,2-pyrrolidinedicarboxylate

Description:
1-(1,1-Dimethylethyl) (2S)-2-[(4-bromophenyl)methyl]-1,2-pyrrolidinedicarboxylate, with CAS number 706806-77-1, is a chemical compound characterized by its complex structure, which includes a pyrrolidine ring with two carboxylate groups and a tert-butyl group. This compound features a chiral center, indicated by the (2S) configuration, which can influence its biological activity and interactions. The presence of the 4-bromophenyl group contributes to its hydrophobic characteristics and may enhance its binding affinity in biological systems. The dicarboxylate functionality suggests potential for forming salts or esters, which can affect solubility and reactivity. This compound may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals, due to its structural features that could interact with biological targets. Its synthesis and characterization would typically involve standard organic chemistry techniques, and its properties would be evaluated through various analytical methods to determine purity, stability, and potential applications.
Formula:C17H22BrNO4
InChI:InChI=1S/C17H22BrNO4/c1-16(2,3)23-15(22)19-10-4-9-17(19,14(20)21)11-12-5-7-13(18)8-6-12/h5-8H,4,9-11H2,1-3H3,(H,20,21)/t17-/m0/s1
InChI key:InChIKey=VQWRXYZZPMLJRL-KRWDZBQOSA-N
SMILES:C([C@@]1(C(O)=O)N(C(OC(C)(C)C)=O)CCC1)C2=CC=C(Br)C=C2
Synonyms:
  • 1,2-Pyrrolidinedicarboxylic acid, 2-[(4-bromophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)-
  • (S)-2-(4-Bromobenzyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylicacid
  • 1-(1,1-Dimethylethyl) (2S)-2-[(4-bromophenyl)methyl]-1,2-pyrrolidinedicarboxylate
  • (S)-2-(4-Bromobenzyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid
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