1-benzyl 2-methyl 5-oxopiperidine-1,2-dicarboxylate - ≥97% , CAS No.797801-61-7

CAS: 797801-61-7 Cat. No.: B638376 Molecular Weight: 291.3

GRADE & PURITY ≥97%

Synonyms

1-Cbz-5-oxo-piperidine-2-carboxylic acid methyl ester | 797801-61-7 | 1-O-benzyl 2-O-methyl 5-oxopiperidine-1,2-dicarboxylate | 1-Benzyl 2-methyl (2R)-5-oxopiperidine-1,2-dicarboxylate | 1-O-benzyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate | PB304

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1-Cbz-5-oxo-piperidine-2-carboxylic acid methyl ester | 797801-61-7 | 1-O-benzyl 2-O-methyl 5-oxopiperidine-1, 2-dicarboxylate | 1-Benzyl 2-methyl (2R)-5-oxopiperidine-1, 2-dicarboxylate | 1-O-benzyl 2-O-methyl (2S)-5-oxopiperidine-1, 2-dicarboxylate | PB304

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC(=O)C1CCC(=O)CN1C(=O)OCC2=CC=CC=C2
• IUPAC Name: 1-O-benzyl 2-O-methyl 5-oxopiperidine-1,2-dicarboxylate
• InChIKey: HFKHJRQXLOFHNO-UHFFFAOYSA-N
• INCHI: 1S/C15H17NO5/c1-20-14(18)13-8-7-12(17)9-16(13)15(19)21-10-11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3
• Molecular Weight: 291.3
• Reaxy-Rn: 9922746
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9922746&ln=

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: Benzyloxycarbonyls Piperidinecarboxylic acids Piperidinones Methyl esters Carbamate esters Cyclic ketones Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - Benzyloxycarbonyl - Piperidinecarboxylic acid - Piperidinone - Monocyclic benzene moiety - Piperidine - Benzenoid - Methyl ester - Carbamic acid ester - Cyclic ketone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic 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