methyl (2S)-1,2,3,6-tetrahydropyridine-2-carboxylate - ≥97% , CAS No.144177-44-6

CAS: 144177-44-6 Cat. No.: M629236 Molecular Weight: 177.63 PubChem CID: 45089940

GRADE & PURITY ≥97%

Synonyms

144177-44-6 | METHYL (2S)-1,2,3,6-TETRAHYDROPYRIDINE-2-CARBOXYLATE | 2-Pyridinecarboxylicacid,1,2,3,6-tetrahydro-,methylester,(S)-(9CI) | SCHEMBL7910245 | AKOS006355189 | E79990 | (2S)-1,2,3,6-Tetrahydropyridine-2alpha-carboxylic acid methyl ester

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

144177-44-6 | METHYL (2S)-1, 2, 3, 6-TETRAHYDROPYRIDINE-2-CARBOXYLATE | 2-Pyridinecarboxylicacid, 1, 2, 3, 6-tetrahydro-, methylester, (S)-(9CI) | SCHEMBL7910245 | AKOS006355189 | E79990 | (2S)-1, 2, 3, 6-Tetrahydropyridine-2alpha-carboxylic acid methyl ester

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC(=O)C1CC=CCN1
• IUPAC Name: methyl (2S)-1,2,3,6-tetrahydropyridine-2-carboxylate
• InChIKey: VCOPAQWYNHWABP-LURJTMIESA-N
• INCHI: 1S/C7H11NO2/c1-10-7(9)6-4-2-3-5-8-6/h2-3,6,8H,4-5H2,1H3/t6-/m0/s1
• Isomeric SMILES: COC(=O)[C@@H]1CC=CCN1
• PubChem CID: 45089940
• Molecular Weight: 177.63

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: Hydropyridines Methyl esters Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - Hydropyridine - Methyl ester - Carboxylic acid ester - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organooxygen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Aliphatic 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