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CAS 959581-02-3

:

1-(1,1-Dimethylethyl) (3S,4R)-4-(2-fluorophenyl)-1,3-pyrrolidinedicarboxylate

Description:
1-(1,1-Dimethylethyl) (3S,4R)-4-(2-fluorophenyl)-1,3-pyrrolidinedicarboxylate is a chemical compound characterized by its complex structure, which includes a pyrrolidine ring with two carboxylate groups and a fluorophenyl substituent. The presence of the 1,1-dimethylethyl group contributes to its steric bulk, influencing its reactivity and interaction with biological targets. The specific stereochemistry, indicated by the (3S,4R) configuration, suggests that the compound may exhibit chiral properties, which can affect its pharmacological activity and interactions in biological systems. The fluorophenyl group may enhance lipophilicity and influence the compound's binding affinity to various receptors or enzymes. This compound is of interest in medicinal chemistry, particularly in the development of pharmaceuticals, due to its potential biological activity. Its CAS number, 959581-02-3, allows for precise identification and retrieval of information regarding its properties, synthesis, and applications in scientific literature.
Formula:C16H20FNO4
InChI:InChI=1/C16H20FNO4/c1-16(2,3)22-15(21)18-8-11(12(9-18)14(19)20)10-6-4-5-7-13(10)17/h4-7,11-12H,8-9H2,1-3H3,(H,19,20)/t11-,12+/m1/s1
InChI key:InChIKey=LNANJBYDRSFKDR-NWDGAFQWSA-N
SMILES:C(O)(=O)[C@H]1[C@@H](CN(C(OC(C)(C)C)=O)C1)C2=C(F)C=CC=C2
Synonyms:
  • (3S,4R)-1-Boc-4-(2-Fluorophenyl)Pyrrolidine-3-Carboxylic Acid
  • 1,3-Pyrrolidinedicarboxylic acid, 4-(2-fluorophenyl)-, 1-(1,1-dimethylethyl) ester, (3S,4R)-
  • 1-(1,1-Dimethylethyl) (3S,4R)-4-(2-fluorophenyl)-1,3-pyrrolidinedicarboxylate
  • (+/-)TRANS-1-BOC-4-(2-FLUOROPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
  • BOC-(TRANS)-4-(2-FLUORO-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID
  • Boc-(3S,4R)-beta-Pro-4-(2-fluorophenyl)-OH
  • BOC-TRANS-DL-PRO(2-FLUOROPHENYL)-OH
  • (+/-)-TRANS-1-(T-BUTOXYCARBONYL)-4-(2-FLUOROPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
  • (3S,4R)-1-(tert-butoxycarbonyl)-4-(2-fluorophenyl)pyrrolidine-3-carboxylic acid
  • (3S,4R)-4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
  • See more synonyms
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Purity (%)
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100
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50
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90
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95
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100
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