O5-tert-butyl O2-ethyl rel-(2S,3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole-2,5-dicarboxylate - ≥97% , CAS No.1330764-83-4

CAS: 1330764-83-4 Cat. No.: O637564 Molecular Weight: 284.35 PubChem CID: 71305651

GRADE & PURITY ≥97%

Synonyms

1330764-83-4 | Racemic-(2S,3aS,6aS)-5-tert-butyl 2-ethyl hexahydropyrrolo[3,4-b]pyrrole-2,5(1H)-dicarboxylate | Rel-(2s,3as,6as)-5-tert-butyl 2-ethyl hexahydropyrrolo[3,4-b]pyrrole-2,5(1h)-dicarboxylate | 5-O-tert-butyl 2-O-ethyl (2S,3aS,6aS)-2,3,3a,4,6,6

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1330764-83-4 | Racemic-(2S, 3aS, 6aS)-5-tert-butyl 2-ethyl hexahydropyrrolo[3, 4-b]pyrrole-2, 5(1H)-dicarboxylate | Rel-(2s, 3as, 6as)-5-tert-butyl 2-ethyl hexahydropyrrolo[3, 4-b]pyrrole-2, 5(1h)-dicarboxylate | 5-O-tert-butyl 2-O-ethyl (2S, 3aS, 6aS)-2, 3, 3a, 4, 6, 6

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CCOC(=O)C1CC2CN(CC2N1)C(=O)OC(C)(C)C
• IUPAC Name: 5-O-tert-butyl 2-O-ethyl (2S,3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-2,5-dicarboxylate
• InChIKey: SONYCWGYRAVLKE-GARJFASQSA-N
• INCHI: 1S/C14H24N2O4/c1-5-19-12(17)10-6-9-7-16(8-11(9)15-10)13(18)20-14(2,3)4/h9-11,15H,5-8H2,1-4H3/t9-,10-,11+/m0/s1
• PubChem CID: 71305651
• Molecular Weight: 284.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Pyrrolidine carboxylic acids Carbamate esters Carboxylic acid esters Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Alpha-amino acid ester - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine - Carbamic acid ester - Carboxylic acid ester - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Azacycle - Secondary amine - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxygen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y