Ethyl 2-Piperidinecarboxylate - ≥98%(GC)(T) , CAS No.15862-72-3

CAS: 15862-72-3 Cat. No.: E156317 Molecular Weight: 157.21 EC Number: 239-990-6

GRADE & PURITY ≥98%(GC)(T)

Synonyms

Ethyl piperidine-2-carboxylate | ChemDiv3_014133 | DL-Pipecolic acid ethyl ester | FT-0773502 | 2-ethoxycarbonylhexahydropyridine | E0837 | Ethyl (2-piperidyl)carboxylate | SCHEMBL135813 | PK04_096187 | SB45959 | MFCD00005980 | 2-Piperidinecarboxylic acid

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Ethyl pipecolinate was used in the synthesis of N-substituted pipecolinates. Reactant for: Combinatorial chemistry with hydrazones Swift hydroamination Synthesis of HCV NS5B polymerase inhibitors Preparation of selective androgen receptor modulators Decarbonylative arylation at sp3 carbon centers Synthesis of quinoline derivatives as selective a2C-adrenoceptor antagonists

Specifications

Synonyms

Ethyl piperidine-2-carboxylate | ChemDiv3_014133 | DL-Pipecolic acid ethyl ester | FT-0773502 | 2-ethoxycarbonylhexahydropyridine | E0837 | Ethyl (2-piperidyl)carboxylate | SCHEMBL135813 | PK04_096187 | SB45959 | MFCD00005980 | 2-Piperidinecarboxylic acid

Specifications & Purity

≥98%(GC)(T)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%(GC)(T)

Names and Identifiers

• Pubchem Sid: 504753362
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753362
• Canonical Smiles: CCOC(=O)C1CCCCN1
• IUPAC Name: ethyl piperidine-2-carboxylate
• InChIKey: SZIKRGHFZTYTIT-UHFFFAOYSA-N
• INCHI: 1S/C8H15NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h7,9H,2-6H2,1H3
• Isomeric SMILES: CCOC(=O)C1CCCCN1
• WGK Germany: 3
• Molecular Weight: 157.21
• Reaxy-Rn: 81694
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=81694&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: Piperidinecarboxylic acids Carboxylic acid esters Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - Piperidinecarboxylic acid - Piperidine - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Organic nitrogen compound - Organic oxide - 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

Chemical and Physical Properties

• Sensitivity: Air sensitive;Heat sensitive
• Refractive Index: 1.456
• Flash Point(°F): 114°F
• Flash Point(°C): 46℃
• Boil Point(°C): 216-217℃
• Molecular Weight: 157.210 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 157.11 Da
• Monoisotopic Mass: 157.11 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 136.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1