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CAS 487048-28-2

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1-(1,1-Dimethylethyl) 2-methyl (2S,4S)-4-cyano-1,2-pyrrolidinedicarboxylate

Description:
1-(1,1-Dimethylethyl) 2-methyl (2S,4S)-4-cyano-1,2-pyrrolidinedicarboxylate, with the CAS number 487048-28-2, is a chemical compound characterized by its pyrrolidine structure, which features two carboxylate groups and a cyano group. This compound is typically used in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Its structure includes a tert-butyl group, which contributes to its steric hindrance and influences its reactivity and solubility. The presence of the cyano group introduces polarity, enhancing its potential interactions in various chemical environments. The specific stereochemistry indicated by (2S,4S) suggests that the compound has defined spatial arrangements, which can significantly affect its biological activity and interactions. Overall, this compound's unique structural features make it a subject of interest in synthetic organic chemistry and related fields.
Formula:C12H18N2O4
InChI:InChI=1S/C12H18N2O4/c1-12(2,3)18-11(16)14-7-8(6-13)5-9(14)10(15)17-4/h8-9H,5,7H2,1-4H3/t8-,9+/m1/s1
InChI key:InChIKey=GHLKJIQVORAVHE-BDAKNGLRSA-N
SMILES:C(OC(C)(C)C)(=O)N1[C@H](C(OC)=O)C[C@H](C#N)C1
Synonyms:
  • (2S,4S)-4-Cyano-1,2-pyrrolidinedicarboxylic acid 1-(tert-butyl) 2-methyl ester
  • 1,2-Pyrrolidinedicarboxylic acid, 4-cyano-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4S)-
  • 1-(1,1-Dimethylethyl) 2-methyl (2S,4S)-4-cyano-1,2-pyrrolidinedicarboxylate
  • 1-tert-Butyl 2-methyl (2S,4S)-4-cyanopyrrolidine-1,2-dicarboxylate
  • Boc-Cis-4-Cyano-L-Proline Methyl Ester
  • N-(tert-Butoxycarbonyl)-(4S)-4-cyano-<span class="text-smallcaps">L</span>-proline methyl ester
  • N-Boc-Cis-4-Cyano-L-Proline Methyl Ester
  • N-Boc-cis-4-cyano-D-prolinemethylester
  • N-(tert-Butoxycarbonyl)-(4S)-4-cyano-L-proline methyl ester
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