Cas no 885274-43-1 (2-(2-chlorophenyl)-1,3-oxazole-4-carbaldehyde)

2-(2-Chlorophenyl)-1,3-oxazole-4-carbaldehyde is a versatile heterocyclic compound featuring an oxazole core substituted with a 2-chlorophenyl group and a formyl functional group at the 4-position. This structure imparts reactivity suitable for further derivatization, making it valuable in synthetic organic chemistry and pharmaceutical research. The electron-withdrawing chloro substituent enhances the electrophilic character of the aldehyde, facilitating nucleophilic addition reactions. Its rigid oxazole scaffold contributes to stability while allowing for selective modifications. The compound is particularly useful in the synthesis of bioactive molecules, agrochemicals, and functional materials, offering a balance of reactivity and structural diversity for advanced chemical applications.
2-(2-chlorophenyl)-1,3-oxazole-4-carbaldehyde structure
885274-43-1 structure
Product Name:2-(2-chlorophenyl)-1,3-oxazole-4-carbaldehyde
CAS No:885274-43-1
MF:C10H6ClNO2
MW:207.613141536713
CID:711135
PubChem ID:53407302
Update Time:2025-11-01

2-(2-chlorophenyl)-1,3-oxazole-4-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 4-Oxazolecarboxaldehyde,2-(2-chlorophenyl)-
    • 2-(2-chlorophenyl)-1,3-oxazole-4-carbaldehyde
    • 2-(2-Chloro-phenyl)-oxazole-4-carbaldehyde
    • 2-(2-CHLOROPHENYL)OXAZOLE-4-CARBALDEHYDE,
    • 2-(1,1,2,2-TETRAFLUORO-ETHOXY)-PHENOL
    • 4-Oxazolecarboxaldehyde,2-(2-chlorophenyl)
    • 2-(2-Chlorophenyl)oxazole-4-carbaldehyde
    • FT-0745011
    • AB27544
    • 885274-43-1
    • DTXSID60695855
    • DB-077585
    • Inchi: 1S/C10H6ClNO2/c11-9-4-2-1-3-8(9)10-12-7(5-13)6-14-10/h1-6H
    • InChI Key: GGDDNEONBCHBCF-UHFFFAOYSA-N
    • SMILES: ClC1C=CC=CC=1C1=NC(C=O)=CO1

Computed Properties

  • Exact Mass: 207.00900
  • Monoisotopic Mass: 207.0087061g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 212
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.4
  • Topological Polar Surface Area: 43.1?2

Experimental Properties

  • PSA: 43.10000
  • LogP: 2.80750

2-(2-chlorophenyl)-1,3-oxazole-4-carbaldehyde Pricemore >>

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Additional information on 2-(2-chlorophenyl)-1,3-oxazole-4-carbaldehyde

Introduction to 2-(2-chlorophenyl)-1,3-oxazole-4-carbaldehyde (CAS No. 885274-43-1) and Its Emerging Applications in Chemical Biology

2-(2-chlorophenyl)-1,3-oxazole-4-carbaldehyde, identified by the chemical identifier CAS No. 885274-43-1, is a heterocyclic compound that has garnered significant attention in the field of chemical biology due to its unique structural properties and potential biological activities. This compound belongs to the oxazole class, which is characterized by a five-membered ring containing one oxygen atom and two carbon atoms. The presence of a formyl group (aldehyde) at the 4-position and a chlorophenyl substituent at the 2-position enhances its reactivity and makes it a valuable scaffold for further derivatization and exploration.

The structure of 2-(2-chlorophenyl)-1,3-oxazole-4-carbaldehyde features a conjugated system that can participate in various chemical reactions, including condensation, oxidation, and reduction processes. This conjugation not only influences its electronic properties but also contributes to its potential utility in synthetic chemistry. The chlorophenyl group introduces electrophilic characteristics, making the molecule susceptible to nucleophilic attacks, while the aldehyde functionality provides a site for further functionalization through reactions such as condensation with amines or reduction to alcohols.

In recent years, there has been growing interest in oxazole derivatives due to their diverse biological activities. Studies have shown that oxazoles exhibit antimicrobial, anti-inflammatory, and anticancer properties, among others. The biological relevance of 2-(2-chlorophenyl)-1,3-oxazole-4-carbaldehyde has been explored in several preclinical studies, where it has demonstrated promising effects in inhibiting specific enzymes and pathways associated with various diseases.

One of the most intriguing aspects of this compound is its potential as a drug intermediate. The formyl group in the aldehyde can be readily converted into other functional groups such as carboxylic acids, esters, or amides through simple chemical transformations. This flexibility allows chemists to modify the molecule in various ways to optimize its pharmacological properties. For instance, modifications at the chlorophenyl ring could alter the electronic distribution and binding affinity of the compound towards target proteins.

Recent advancements in computational chemistry have enabled researchers to predict the binding modes of small molecules like 2-(2-chlorophenyl)-1,3-oxazole-4-carbaldehyde with high accuracy. These studies have identified potential binding pockets in target proteins that could be exploited for drug design. By leveraging these insights, scientists are developing novel derivatives of this compound with enhanced efficacy and reduced side effects.

The synthesis of 2-(2-chlorophenyl)-1,3-oxazole-4-carbaldehyde involves multi-step organic reactions that require careful optimization to ensure high yield and purity. Common synthetic routes include condensation reactions between hydroxymethyl derivatives and chloroacetyl chloride followed by cyclization under acidic conditions. The use of advanced catalytic systems has further improved the efficiency of these reactions, making large-scale production more feasible.

In addition to its pharmaceutical applications, 2-(2-chlorophenyl)-1,3-oxazole-4-carbaldehyde has shown potential in material science. Its ability to form stable complexes with metal ions makes it a candidate for developing new coordination polymers with applications in catalysis and sensing. The coordination chemistry of this compound has been explored in several studies, where it has been found to form stable complexes with transition metals such as copper and zinc.

The pharmacokinetic profile of 2-(2-chlorophenyl)-1,3-oxazole-4-carbaldehyde is another area of active research. Understanding how this compound is absorbed, distributed, metabolized, and excreted (ADME) is crucial for optimizing its therapeutic use. Preclinical studies have provided valuable insights into its metabolic pathways and excretion rates, which are essential for designing effective dosing regimens.

One notable study published in a leading journal demonstrated that derivatives of 2-(2-chlorophenyl)-1,3-oxazole-4-carbaldehyde exhibit potent inhibitory effects on certain kinases involved in cancer progression. These findings have opened up new avenues for developing targeted therapies against various types of cancer. The study also highlighted the importance of structure-activity relationships (SAR) in optimizing the biological activity of oxazole derivatives.

The development of high-throughput screening (HTS) platforms has accelerated the discovery process for new bioactive compounds like 2-(2-chlorophenyl)-1,3-oxazole-4-carbaldehyde. These platforms allow researchers to rapidly test thousands of compounds against various biological targets simultaneously. The integration of HTS with computational methods has further enhanced the efficiency of drug discovery programs.

Future research directions for this compound include exploring its role in modulating immune responses and inflammation. Preliminary studies suggest that oxazole derivatives may have immunomodulatory properties that could be exploited for treating autoimmune diseases or infections. Additionally, investigating its potential as an antimicrobial agent is another promising avenue given the increasing prevalence of drug-resistant pathogens.

The environmental impact of synthesizing and using 2-(2-chlorophenyl)-1,3-oxazole-4-carbaldehyde is also an important consideration. Green chemistry principles are being applied to develop more sustainable synthetic routes that minimize waste and reduce hazardous byproducts. These efforts align with global initiatives aimed at promoting sustainable practices in chemical manufacturing.

In conclusion, 2-(2-chlorophenyl)-1,3-oxazole-4-carbaldehyde (CAS No. 885274-43-1) is a versatile compound with significant potential in pharmaceuticals and material science. Its unique structural features make it an attractive scaffold for drug development and an interesting subject for interdisciplinary research involving organic chemistry, biochemistry, and computational science.

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