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

CAS: 5470-96-2 Cat. No.: Q106458 Formula: C₁₀H₇NO Peso molecolare: 157.17 Beilstein Registry Number: 21322 Numero 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504755391
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755391
• Sorrisi canonici: 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
• Isomeri SMILES: C1=CC=C2C(=C1)C=CC(=N2)C=O
• WGK Germania: 3
• PubChem CID: 79619
• Peso molecolare: 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
• Descrizione: 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

Obiettivi associati (umani)

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

Obiettivi associati (non umani)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Insoluble in water.
• Sensibilità: Air Sensitive
• Punto di fusione (°C): 66-71°C
• Peso molecolare: 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

Riferimenti

1. Li Huiqian, Xue Weijian, Wang Jinping, Ma Jie, Zhao Bing, Guo Xiangfeng.  (2021)  A Sensitive Fluorescent Sensor for Highly Sensitive Detection of Water in Organic Solvents Based on Substituted Imidazole.  JOURNAL OF FLUORESCENCE,  31  (4): (907-913).  [PMID:33826071] [10.1007/s10895-021-02729-w]

2. Jia-Yi Luo, Zhao-Jing Huang, Ming Zhao, Shunxing Li, Fengying Zheng, Xuguang Huang, Fengjiao Liu, Luxiu Lin, Zheng Bin Huang, Haijiao Xie.  (2024)  One-to-Nine Single Spectroscopic Intelligent Probe for Risk Assessment of Multiple Metals in Drinking Water.  ANALYTICAL CHEMISTRY,      [PMID:38953489] [10.1021/acs.analchem.4c02181]

3. Zhuoqin Li, Minghui Ma, Zhiyin Xiao, Xiujuan Jiang, Xinlei Xu, Hailong Wang, Peter C. Ford, Xiaoming Liu.  (2024)  Increasing the CO-Release Photosensitivity of Mn(I) Carbonyl Complexes Towards Longer Wavelengths by Electronically Tuning Their Schiff Base Ligands.  APPLIED ORGANOMETALLIC CHEMISTRY,  39  (1): (e7959).  [PMID:] [10.1002/aoc.7959]