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

CAS: 5470-96-2 Cat. No.: Q106458 Formule: C₁₀H₇NO Poids moléculaire: 157.17 Beilstein Registry Number: 21322 Numéro CE: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504755391

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

3

PubChem CID

79619

Poids moléculaire

157.17

Beilstein

21322

Reaxy-Rn

113061

Taxonomic Classification

Taxonomy Tree

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

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

Cibles associées (humaines)

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

Cibles associées (non humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Insoluble in water.
• Sensibilité: Air Sensitive
• Point de fusion (°C): 66-71°C
• Poids moléculaire: 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