2-Quinolinecarboxaldehyde - ≥98% , CAS No.5470-96-2

CAS: 5470-96-2 Cat. No.: Q106458 Fórmula: C₁₀H₇NO Peso molecular: 157.17 Beilstein Registry Number: 21322 Número EC: 226-804-3 PubChem CID: 79619

GRADE & PURITY ≥98%

Synonyms

BCP9000116 | Quinoline-2-carboxaldehyde | BCP22877 | SB10623 | NSC 27026 | 2-(2,6-Dioxotetrahydro-2H-pyran-3-yl)isoindoline-1,3-dione | 2-(tert-butyl)oxirane | 2-Quinolinecarbaldehyde | 2-Quinolinecarboxaldehyde | BBL011760 | alpha-Glycyltryptophan | EN30

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

2-Quinolinecarboxaldehyde was used in the preparation of: · 3-(2-quinolyl)-1-phenyl-2-propenone via rapid, tandem aldol-Michael reactions with the lithium, sodium and potassium enolates of acetophenone; · imine-type ligands; · sugar-quinoline fluorescent sensor for the detection of Hg2+ in natural water.

Specifications

Sinónimos

BCP9000116 | Quinoline-2-carboxaldehyde | BCP22877 | SB10623 | NSC 27026 | 2-(2,6-Dioxotetrahydro-2H-pyran-3-yl)isoindoline-1,3-dione | 2-(tert-butyl)oxirane | 2-Quinolinecarbaldehyde | 2-Quinolinecarboxaldehyde | BBL011760 | alpha-Glycyltryptophan | EN30

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

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Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504755391

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755391

Sonrisas canónicas

C1=CC=C2C(=C1)C=CC(=N2)C=O

IUPAC Name

quinoline-2-carbaldehyde

InChIKey

WPYJKGWLDJECQD-UHFFFAOYSA-N

INCHI

1S/C10H7NO/c12-7-9-6-5-8-3-1-2-4-10(8)11-9/h1-7H

Isómeros SMILES

C1=CC=C2C(=C1)C=CC(=N2)C=O

WGK Alemania

3

PubChem CID

79619

Peso molecular

157.17

Beilstein

21322

Reaxy-Rn

113061

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: Pyridine carboxaldehydes Aryl-aldehydes Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - 2-pyridine carboxaldehyde - Aryl-aldehyde - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Organopnictogen compound - Organic oxygen compound - Aldehyde - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• 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

Objetivos asociados (humanos)

SLC6A1 Tclin GABA transporter 1 (308 Activities)

Discover Target: SLC6A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Leishmania donovani (89745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

J774.A1 (2436 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water.
• Sensibilidad: Air Sensitive
• Punto de fusión (°C): 66-71°C
• Peso molecular: 157.170 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 157.053 Da
• Monoisotopic Mass: 157.053 Da
• Topological Polar Surface Area: 30.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 169.000
• 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