Isonipecotato de metilo - ≥98% , CAS No.2971-79-1

CAS: 2971-79-1 Cat. No.: I135762 Fórmula: C₇H₁₃NO₂ Peso molecular: 143.19 Beilstein Registry Number: 22(4)128 Número EC: 629-683-9

GRADE & PURITY ≥98%

Synonyms

AM20090394 | piperidina-4-carboxilato de metilo; 4-piperidinocarboxilato de metilo; éster metílico del ácido 4-piperidinocarboxílico; piperidina-4-carboxilato de metilo | A820022 | SCHEMBL5163 | 4-piperidinilcarboxilato de metilo | J-522626 | éster metíli

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Reactante para la arilación C-2 de piperidinas mediante activación sp3 C-H catalizada por metales de transición Reactante para la síntesis de: Agentes antituberculosos Agentes contra el VIH-1 Inhibidores de la aminopirazina Inhibidores de la proteína quinasa D naftiridina disponibles por vía oral Un catalizador escalable a partir de la hidrogenación asimétrica de la enamida aril estéricamente exigente

Specifications

Sinónimos

AM20090394 | piperidina-4-carboxilato de metilo; 4-piperidinocarboxilato de metilo; éster metílico del ácido 4-piperidinocarboxílico; piperidina-4-carboxilato de metilo | A820022 | SCHEMBL5163 | 4-piperidinilcarboxilato de metilo | J-522626 | éster metíli

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488189713
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189713
• Sonrisas canónicas: COC(=O)C1CCNCC1
• IUPAC Name: methyl piperidine-4-carboxylate
• InChIKey: RZVWBASHHLFBJF-UHFFFAOYSA-N
• INCHI: 1S/C7H13NO2/c1-10-7(9)6-2-4-8-5-3-6/h6,8H,2-5H2,1H3
• Isómeros SMILES: COC(=O)C1CCNCC1
• Peso molecular: 143.19
• Beilstein: 22(4)128
• Reaxy-Rn: 114975
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114975&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines
      • Subclass Piperidinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Piperidinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinecarboxylic acids
• Alternative Parents: Methyl esters Amino acids and derivatives Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinecarboxylic acid - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
• 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

Propiedades químicas y físicas

• Solubilidad: soluble in water
• Sensibilidad: Air sensitive
• Índice de refracción: 1.465
• Punto de inflamación (°F): 192.2℉
• Punto de inflamación (°C): 89°C(lit.)
• Punto de ebullición (°C): 93 °C
• Peso molecular: 143.180 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 143.095 Da
• Monoisotopic Mass: 143.095 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 119.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

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

The CAS Number is 2971-79-1, the molecular formula is C7H13NO2, and the molecular weight is 143.19 g/mol. InChIKey RZVWBASHHLFBJF-UHFFFAOYSA-N.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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.