O7-tert-butyl O1-methyl exo-3-hydroxy-7-azabicyclo[2.2.1]heptane-1,7-dicarboxylate - ≥97% , CAS No.255897-17-7

CAS: 255897-17-7 Cat. No.: O633167 Peso molecular: 271.31 PubChem CID: 11032958

GRADE & PURITY ≥97%

Synonyms

DTXSID601113692 | 7-O-Tert-butyl 1-O-methyl (1S,3S,4R)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1,7-dicarboxylate | PS-19661 | rel-7-(1,1-Dimethylethyl) 1-methyl (1R,3R,4S)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1,7-dicarboxylate | 7-Azabicyclo[2.2.1]heptane-1,

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DTXSID601113692 | 7-O-Tert-butyl 1-O-methyl (1S, 3S, 4R)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1, 7-dicarboxylate | PS-19661 | rel-7-(1, 1-Dimethylethyl) 1-methyl (1R, 3R, 4S)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1, 7-dicarboxylate | 7-Azabicyclo[2.2.1]heptane-1,

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)N1C2CCC1(CC2O)C(=O)OC
• IUPAC Name: 7-O-tert-butyl 1-O-methyl (1S,3S,4R)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1,7-dicarboxylate
• InChIKey: DLGRTZJENYOJQN-ZDMBXUJBSA-N
• INCHI: 1S/C13H21NO5/c1-12(2,3)19-11(17)14-8-5-6-13(14,7-9(8)15)10(16)18-4/h8-9,15H,5-7H2,1-4H3/t8-,9+,13+/m1/s1
• Isómeros SMILES: CC(C)(C)OC(=O)N1[C@@H]2CC[C@]1(C[C@@H]2O)C(=O)OC
• CAS alternativo: 255897-17-7
• PubChem CID: 11032958
• Peso molecular: 271.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase 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
• Clase: 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 Methyl esters Carbamate esters Secondary alcohols Organic carbonic acids and derivatives Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Alpha-amino acid ester - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Methyl ester - Carbamic acid ester - Pyrrolidine - Cyclic alcohol - Secondary alcohol - Carbonic acid derivative - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aliphatic heteropolycyclic compound
• Descripción: 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