sal dipotásica trihidratada del ácido 2,2′-biquinolina-4,4′-dicarboxílico - ≥99% , CAS No.207124-63-8

CAS: 207124-63-8 Cat. No.: B138461 Peso molecular: 474.55 Número EC: 628-806-3

GRADE & PURITY ≥99%

Synonyms

Potassium[2,2-biquinoline]-4,4-dicarboxylatetrihydrate | 4,4'-Dicarboxy-2,2'-biquinoline dipotassium salt | ,2'-BIQUINOLINE-4,4'-DICARBOXYLIC ACID DIPOTASSIUM SALT TRIHYDRATE | AKOS015893957 | [2,2'-Biquinoline]-4,4'-dicarboxylic acid, potassium salt, hyd

Storage

Room temperature

Shipped In

Normal

Descripción general

la sal dipotásica trihidratada del ácido 2,2′-biquinolina-4,4′-dicarboxílico es un derivado de la biquinolina. Forma un complejo de paladio soluble en agua que permite la oxidación aeróbica acuosa de alcoholes primarios, secundarios y bencílicos. Como el disolvente de la reacción es sólo agua y el oxidante es aire, puede utilizarse como alternativa ecológica a los métodos tradicionales de oxidación.
Un derivado de la biquinolina que puede utilizarse como alternativa ecológica a los métodos tradicionales de oxidación.

Specifications

Sinónimos

Potassium[2, 2-biquinoline]-4, 4-dicarboxylatetrihydrate | 4, 4'-Dicarboxy-2, 2'-biquinoline dipotassium salt | , 2'-BIQUINOLINE-4, 4'-DICARBOXYLIC ACID DIPOTASSIUM SALT TRIHYDRATE | AKOS015893957 | [2, 2'-Biquinoline]-4, 4'-dicarboxylic acid, potassium salt, hyd

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488199162
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199162
• Sonrisas canónicas: C1=CC=C2C(=C1)C(=CC(=N2)C3=NC4=CC=CC=C4C(=C3)C(=O)[O-])C(=O)[O-].O.O.O.[K+].[K+]
• IUPAC Name: dipotassium;2-(4-carboxylatoquinolin-2-yl)quinoline-4-carboxylate;trihydrate
• InChIKey: MUCQANVZZZELIW-UHFFFAOYSA-L
• INCHI: 1S/C20H12N2O4.2K.3H2O/c23-19(24)13-9-17(21-15-7-3-1-5-11(13)15)18-10-14(20(25)26)12-6-2-4-8-16(12)22-18;;;;;/h1-10H,(H,23,24)(H,25,26);;;3*1H2/q;2*+1;;;/p-2
• Isómeros SMILES: C1=CC=C2C(=C1)C(=CC(=N2)C3=NC4=CC=CC=C4C(=C3)C(=O)[O-])C(=O)[O-].O.O.O.[K+].[K+]
• WGK Alemania: 3
• Peso molecular: 474.55
• Reaxy-Rn: 17602923
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=17602923&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Quinoline carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Quinoline carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoline carboxylic acids
• Alternative Parents: Bipyridines and oligopyridines Pyridinecarboxylic acids Benzenoids Heteroaromatic compounds Carboxylic acid salts Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic potassium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline-4-carboxylic acid - Bipyridine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Benzenoid - Pyridine - Heteroaromatic compound - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic alkali metal salt - Organic nitrogen compound - Organic zwitterion - Organic salt - Organic potassium salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions.
• 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

• Punto de fusión (°C): >300 °C (lit.)
• Peso molecular: 474.500 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 1
• Exact Mass: 474.023 Da
• Monoisotopic Mass: 474.023 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 495.000
• 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: 6

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