tert-butyl 4-(hydroxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate - ≥97% , CAS No.2387597-64-8

CAS: 2387597-64-8 Cat. No.: T632956 Molecular Weight: 213.27 PubChem CID: 155891024

GRADE & PURITY ≥97%

Synonyms

2387597-64-8 | tert-butyl 4-(hydroxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate | tert-Butyl 4-(hydroxymethyl)-3,4-dihydropyridine-1(2H)-carboxylate | MFCD32900586 | E73640

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2387597-64-8 | tert-butyl 4-(hydroxymethyl)-3, 4-dihydro-2H-pyridine-1-carboxylate | tert-Butyl 4-(hydroxymethyl)-3, 4-dihydropyridine-1(2H)-carboxylate | MFCD32900586 | E73640

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)N1CCC(C=C1)CO
• IUPAC Name: tert-butyl 4-(hydroxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate
• InChIKey: SDEHTGJLNXQIFY-UHFFFAOYSA-N
• INCHI: 1S/C11H19NO3/c1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12/h4,6,9,13H,5,7-8H2,1-3H3
• PubChem CID: 155891024
• Molecular Weight: 213.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Hydropyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Hydropyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrahydropyridines
• Alternative Parents: Carbamate esters Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Alcohols and polyols
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Tetrahydropyridine - Carbamic acid ester - Carbonic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Alcohol - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as tetrahydropyridines. These are derivatives of pyridine in which two double bonds in the pyridine moiety are reduced by adding four hydrogen atoms.
• 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