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

CAS: 15862-72-3 Cat. No.: E156317 Fórmula: C₈H₁₅NO₂ Peso molecular: 157.21 Número CE: 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

Visão geral

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

Sinónimos

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

Especificações e pureza

≥98%(GC)(T)

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%(GC)(T)

Nomes e identificadores

• Pubchem Sid: 504753362
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753362
• Sorrisos canónicos: 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
• SMILES isoméricas: CCOC(=O)C1CCCCN1
• WGK Alemanha: 3
• Peso molecular: 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
    • Classe 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
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: Air sensitive;Heat sensitive
• Índice de refração: 1.456
• Ponto de inflamação (°F): 114°F
• Ponto de inflamação (°C): 46℃
• Ponto de ebulição (°C): 216-217℃
• Peso molecular: 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

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 15862-72-3, the molecular formula is C8H15NO2, and the molecular weight is 157.21 g/mol. InChIKey SZIKRGHFZTYTIT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.