Cas no 1823899-37-1 (Quinazoline-8-carbaldehyde)

Quinazoline-8-carbaldehyde is a key intermediate in the synthesis of various pharmaceuticals and agrochemicals. It offers high purity and a broad range of applications due to its unique structural features. Its versatility as a building block in drug discovery and synthetic chemistry makes it a valuable component in organic synthesis.
Quinazoline-8-carbaldehyde structure
Quinazoline-8-carbaldehyde structure
Product Name:Quinazoline-8-carbaldehyde
CAS No:1823899-37-1
MF:C9H6N2O
MW:158.15674161911
MDL:MFCD27923546
CID:2600916
PubChem ID:72207109
Update Time:2025-11-01

Quinazoline-8-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • Quinazoline-8-carbaldehyde
    • AK145009
    • 8-Quinazolinecarboxaldehyde
    • FCH2496740
    • DB-144456
    • DS-7983
    • SCHEMBL2009785
    • AKOS022176909
    • CS-0187977
    • YXC89937
    • C73522
    • 1823899-37-1
    • MFCD27923546
    • MDL: MFCD27923546
    • Inchi: 1S/C9H6N2O/c12-5-8-3-1-2-7-4-10-6-11-9(7)8/h1-6H
    • InChI Key: FXROZDCKLWDZRK-UHFFFAOYSA-N
    • SMILES: O=CC1=CC=CC2=CN=CN=C21

Computed Properties

  • Exact Mass: 158.048012819g/mol
  • Monoisotopic Mass: 158.048012819g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 172
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 42.8
  • XLogP3: 1

Experimental Properties

  • Boiling Point: 324.1±15.0°C at 760 mmHg

Quinazoline-8-carbaldehyde Security Information

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Additional information on Quinazoline-8-carbaldehyde

Introduction to Quinazoline-8-carbaldehyde (CAS No. 1823899-37-1)

Quinazoline-8-carbaldehyde, identified by the Chemical Abstracts Service Number (CAS No.) 1823899-37-1, is a significant heterocyclic compound that has garnered considerable attention in the field of pharmaceutical chemistry and medicinal biology. This compound belongs to the quinazoline scaffold, a structural motif widely recognized for its diverse biological activities and pharmacological potential. The presence of a formyl group at the 8-position of the quinazoline ring enhances its reactivity, making it a valuable intermediate in the synthesis of various bioactive molecules.

The quinazoline core is a bicyclic aromatic system consisting of a benzene ring fused to a pyrimidine ring. This structural configuration imparts unique electronic and steric properties to the molecule, which are exploited in drug design and development. Quinazoline-8-carbaldehyde serves as a versatile building block for constructing more complex pharmacophores, particularly in the quest for novel therapeutic agents targeting infectious diseases, cancer, and inflammatory disorders.

In recent years, there has been a surge in research focused on quinazoline derivatives due to their demonstrated efficacy in modulating key biological pathways. For instance, studies have highlighted the potential of quinazoline-based compounds as kinase inhibitors, which are crucial in cancer therapy. The aldehyde functionality in Quinazoline-8-carbaldehyde allows for further chemical modifications, enabling the synthesis of derivatives with enhanced binding affinity and selectivity. This flexibility has spurred interest among medicinal chemists in developing new analogs with improved pharmacokinetic profiles.

The compound's significance extends beyond its role as a synthetic intermediate. It has been explored in various preclinical studies as a precursor for drugs that exhibit antiviral and antibacterial properties. The formyl group at the 8-position facilitates condensation reactions with nucleophiles, leading to the formation of Schiff bases and other functionalized derivatives. These derivatives have shown promise in inhibiting enzymes involved in pathogenic processes, thereby offering potential therapeutic benefits.

Advances in computational chemistry and molecular modeling have further propelled the study of Quinazoline-8-carbaldehyde. These techniques allow researchers to predict the binding interactions of quinazoline derivatives with biological targets, such as proteins and enzymes. Such insights are invaluable in optimizing drug candidates for clinical trials. The integration of experimental data with computational methods has led to more efficient screening processes, accelerating the discovery pipeline for new drugs based on quinazoline scaffolds.

The pharmaceutical industry has taken note of these developments, with several companies investing in quinazoline-based drug candidates. The versatility of Quinazoline-8-carbaldehyde as a starting material makes it an attractive choice for academic and industrial research teams alike. Its role in synthesizing novel compounds underscores its importance in modern medicinal chemistry.

In conclusion, Quinazoline-8-carbaldehyde (CAS No. 1823899-37-1) represents a cornerstone compound in the quest for innovative therapeutic solutions. Its unique structural features and reactivity make it indispensable in drug discovery efforts aimed at addressing unmet medical needs. As research continues to uncover new applications for this compound, its significance is poised to grow further, solidifying its place as a key player in pharmaceutical innovation.

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