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CAS 959580-33-7

:

1-(1,1-Dimethylethyl) (3S,4R)-4-(3-cyanophenyl)-1,3-pyrrolidinedicarboxylate

Description:
1-(1,1-Dimethylethyl) (3S,4R)-4-(3-cyanophenyl)-1,3-pyrrolidinedicarboxylate is a chemical compound characterized by its complex structure, which includes a pyrrolidine ring with two carboxylate groups and a tert-butyl substituent. The presence of a cyanophenyl group introduces additional aromatic characteristics, contributing to its potential reactivity and interactions. This compound is likely to exhibit specific stereochemistry due to the (3S,4R) configuration, which can influence its biological activity and pharmacological properties. The tert-butyl group enhances lipophilicity, potentially affecting solubility and permeability in biological systems. As a dicarboxylate, it may participate in various chemical reactions, including esterification and amidation. The compound's CAS number, 959580-33-7, allows for precise identification in chemical databases, facilitating research and application in fields such as medicinal chemistry and drug development. Overall, its unique structural features suggest potential utility in various chemical and pharmaceutical applications, although specific biological activities would require further investigation.
Formula:C17H20N2O4
InChI:InChI=1S/C17H20N2O4/c1-17(2,3)23-16(22)19-9-13(14(10-19)15(20)21)12-6-4-5-11(7-12)8-18/h4-7,13-14H,9-10H2,1-3H3,(H,20,21)/t13-,14+/m0/s1
InChI key:InChIKey=ZHFKFVXDOBTIEP-UONOGXRCSA-N
SMILES:C(O)(=O)[C@H]1[C@@H](CN(C(OC(C)(C)C)=O)C1)C2=CC(C#N)=CC=C2
Synonyms:
  • 1,3-Pyrrolidinedicarboxylic acid, 4-(3-cyanophenyl)-, 1-(1,1-dimethylethyl) ester, (3S,4R)-
  • 1-(1,1-Dimethylethyl) (3S,4R)-4-(3-cyanophenyl)-1,3-pyrrolidinedicarboxylate
  • (3S,4R)-4-(3-cyanophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
  • BOC-(TRANS)-4-(3-CYANO-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID
  • BOC-TRANS-DL-PRO(3-CYANOPHENYL)-OH
  • BOC-(+/-)-TRANS-4-(3-CYANOPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
  • (3S,4R)-1-(tert-butoxycarbonyl)-4-(3-cyanophenyl)pyrrolidine-3-carboxylic acid
  • Boc-trans-DL-b-Pro-4-(3-cyanophenyl)-OH
  • (3S,4R)-1-Boc-4-(3-cyanophenyl)pyrrolidine-3-carboxylic acid
  • Boc-(3S,4R)-beta-Pro-4-(3-cyanophenyl)-OH
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