Methyl Pyridine-2-carboxylate - ≥98%(GC) , CAS No.2459-07-6

CAS: 2459-07-6 Cat. No.: M157799 Peso molecular: 137.14 Número EC: 219-545-2

GRADE & PURITY ≥98%(GC)

Synonyms

Methyl picolinate | Methyl pyridine-2-carboxylate | O11979 | 2-Carbomethoxypyridine | 5-ethyl-2,2-dimethylthiomorpholin-3-one | FT-0628794 | 2,4-dichloro-pyridine | AM20070160 | Picolinic acid, methyl ester | Z19673259 | AC-22483 | BCP25790 | NSC1459 | NS

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Methyl picolinate (MP) exists in two conformers i.e s-trans and s-cis. Molecular structure of these forms has been investigated by gas electron diffraction.
Methyl picolinate may be used in the synthesis of: 3-substituted-imidazo[1,5-α]pyridines N-benzylpicolinamide 3-phenylsubstituted imidazo[1,5-α]pyridines pyrimine 4,6-dipyridylpyrimidine

Specifications

Sinónimos

Methyl picolinate | Methyl pyridine-2-carboxylate | O11979 | 2-Carbomethoxypyridine | 5-ethyl-2, 2-dimethylthiomorpholin-3-one | FT-0628794 | 2, 4-dichloro-pyridine | AM20070160 | Picolinic acid, methyl ester | Z19673259 | AC-22483 | BCP25790 | NSC1459 | NS

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 504754964
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754964
• Sonrisas canónicas: COC(=O)C1=CC=CC=N1
• IUPAC Name: methyl pyridine-2-carboxylate
• InChIKey: NMMIHXMBOZYNET-UHFFFAOYSA-N
• INCHI: 1S/C7H7NO2/c1-10-7(9)6-4-2-3-5-8-6/h2-5H,1H3
• Isómeros SMILES: COC(=O)C1=CC=CC=N1
• Peso molecular: 137.14
• Reaxy-Rn: 114399
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114399&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water.
• Sensibilidad: air sensitive
• Índice de refracción: 1.521(lit.)
• Punto de inflamación (°F): 103°C
• Punto de inflamación (°C): 103°C
• Punto de ebullición (°C): 95°C/1 mmHg(lit.)
• Punto de fusión (°C): 19 °C
• Peso molecular: 137.140 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 137.048 Da
• Monoisotopic Mass: 137.048 Da
• Topological Polar Surface Area: 39.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 125.000
• 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