2,2′-Biquinoline-4,4′-dicarboxylic acid dipotassium salt trihydrate - ≥99% , CAS No.207124-63-8

CAS: 207124-63-8 Cat. No.: B138461 Molecular Weight: 474.55 EC Number: 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

Overview

2,2′-Biquinoline-4,4′-dicarboxylic acid dipotassium salt trihydrate is a biquinoline derivative. It is a biquinoline based water soluble ligand.It forms a water soluble palladium complex which allows aqueous aerobic oxidation of primary, secondary and benzylic alcohols. Since the reaction solvent is only water and the oxidant is air, it may be used as a green alternative to the traditional methods of oxidation.
A biquinoline derivative that may be used as a green alternative to the traditional methods of oxidation.

General description

2,2′-Biquinoline-4,4′-dicarboxylic acid dipotassium salt trihydrate is a hydrated dipotassium salt of 2,2-biquinoline-4,4-dicarboxylic acid.

Specifications

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

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488199162
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199162
• Canonical 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+]
• 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
• Isomeric 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 Germany: 3
• Molecular Weight: 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
    • Class Quinolines and derivatives
      • Subclass Quinoline carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Melt Point(°C): >300 °C (lit.)
• Molecular Weight: 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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