Ethyl 4-hydroxy-2-quinolinecarboxylate - ≥96% , CAS No.24782-43-2

CAS: 24782-43-2 Cat. No.: E169004 Summenformel: C₁₂H₁₁NO₃ Molekulargewicht: 217.22 EG-Nummer: 627-438-0

GRADE & PURITY ≥96%

Synonyms

AMY31829 | Ethyl 1,4-dihydro-4-oxo-quinoline-2-carboxylate | SB68783 | ethyl 4-oxo-1H-quinoline-2-carboxylate | Ethyl4-oxo-1,4-dihydroquinoline-2-carboxylate | 4-hydroxy-2-quinolinecarboxylic acid ethyl ester | CCG-127125 | AF-753/00286039 | MFCD11998911

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

AMY31829 | Ethyl 1,4-dihydro-4-oxo-quinoline-2-carboxylate | SB68783 | ethyl 4-oxo-1H-quinoline-2-carboxylate | Ethyl4-oxo-1,4-dihydroquinoline-2-carboxylate | 4-hydroxy-2-quinolinecarboxylic acid ethyl ester | CCG-127125 | AF-753/00286039 | MFCD11998911

Spezifikationen & Reinheit

≥96%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥96%

Namen und Kennungen

• Pubchem Sid: 488189248
• Kanonisches Lächeln: CCOC(=O)C1=CC(=O)C2=CC=CC=C2N1
• IUPAC Name: ethyl 4-oxo-1H-quinoline-2-carboxylate
• InChIKey: UACLREXZGKWWIC-UHFFFAOYSA-N
• INCHI: 1S/C12H11NO3/c1-2-16-12(15)10-7-11(14)8-5-3-4-6-9(8)13-10/h3-7H,2H2,1H3,(H,13,14)
• Isomere SMILES: CCOC(=O)C1=CC(=O)C2=CC=CC=C2N1
• WGK Deutschland: 3
• Molekulargewicht: 217.22
• Reaxy-Rn: 477529
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=477529&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolones
• Alternative Parents: Hydroquinolines Pyridinecarboxylic acids Benzenoids Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 216-218 °C
• Molekulargewicht: 217.220 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 217.074 Da
• Monoisotopic Mass: 217.074 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 335.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

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

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

The CAS Number is 24782-43-2, the molecular formula is C12H11NO3, and the molecular weight is 217.22 g/mol. InChIKey UACLREXZGKWWIC-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.