Cas no 891842-42-5 (Benzaldehyde, 5-ethoxy-2-fluoro-)

Technical Introduction: Benzaldehyde, 5-ethoxy-2-fluoro- Benzaldehyde, 5-ethoxy-2-fluoro- is a fluorinated and ethoxy-substituted aromatic aldehyde, offering unique reactivity and selectivity in organic synthesis. The presence of both electron-donating (ethoxy) and electron-withdrawing (fluoro) groups on the benzene ring enhances its utility as an intermediate in pharmaceuticals, agrochemicals, and fine chemicals. The fluorine substituent improves metabolic stability and binding affinity in bioactive molecules, while the ethoxy group can influence solubility and steric interactions. This compound is particularly valuable in cross-coupling reactions, nucleophilic substitutions, and as a precursor for heterocyclic frameworks. Its well-defined structure ensures consistent performance in demanding synthetic applications.
Benzaldehyde, 5-ethoxy-2-fluoro- structure
891842-42-5 structure
Product Name:Benzaldehyde, 5-ethoxy-2-fluoro-
CAS No:891842-42-5
MF:C9H9FO2
MW:168.164966344833
CID:1938322
PubChem ID:86247231
Update Time:2025-06-12

Benzaldehyde, 5-ethoxy-2-fluoro- Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde, 5-ethoxy-2-fluoro-
    • SCHEMBL3851503
    • E92894
    • 891842-42-5
    • 5-ethoxy-2-fluorobenzaldehyde
    • CS-0191714
    • MFCD24686049
    • GOJKQUIVYRXUNY-UHFFFAOYSA-N
    • Inchi: 1S/C9H9FO2/c1-2-12-8-3-4-9(10)7(5-8)6-11/h3-6H,2H2,1H3
    • InChI Key: GOJKQUIVYRXUNY-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1C=O)OCC

Computed Properties

  • Exact Mass: 168.05865769Da
  • Monoisotopic Mass: 168.05865769Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 149
  • 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
  • XLogP3: 1.8
  • Topological Polar Surface Area: 26.3?2

Benzaldehyde, 5-ethoxy-2-fluoro- Pricemore >>

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Additional information on Benzaldehyde, 5-ethoxy-2-fluoro-

Benzaldehyde, 5-ethoxy-2-fluoro- and Its Significance in Modern Chemical Research

The compound with the CAS number 891842-42-5, known as Benzaldehyde, 5-ethoxy-2-fluoro-, represents a fascinating molecule in the realm of organic chemistry. This aromatic aldehyde derivative has garnered significant attention due to its unique structural features and its potential applications in various scientific fields. The presence of both an ethoxy group and a fluoro substituent on the benzene ring imparts distinct electronic and steric properties, making it a valuable scaffold for further chemical modifications and functionalizations.

In recent years, the study of halogenated aromatic compounds has seen considerable advancements, particularly in understanding their reactivity and utility in synthetic chemistry. The fluoro group, in particular, is known for its ability to influence the metabolic stability and pharmacokinetic properties of molecules, making it a popular choice in pharmaceutical research. The ethoxy group, on the other hand, can enhance solubility and stability, further broadening the compound's appeal. Together, these substituents make Benzaldehyde, 5-ethoxy-2-fluoro- a versatile building block for designing novel compounds with tailored properties.

One of the most compelling aspects of Benzaldehyde, 5-ethoxy-2-fluoro- is its role as a precursor in the synthesis of more complex molecules. Researchers have leveraged its reactive sites to develop novel methodologies for constructing heterocyclic frameworks, which are prevalent in many biologically active compounds. For instance, palladium-catalyzed cross-coupling reactions have been extensively used to introduce additional functional groups at specific positions on the benzene ring. These transformations have opened up new avenues for creating derivatives with enhanced biological activity.

The pharmaceutical industry has been particularly keen on exploring derivatives of Benzaldehyde, 5-ethoxy-2-fluoro-. The compound's structure resembles several known drug candidates, suggesting its potential as an intermediate in drug discovery programs. Recent studies have highlighted its utility in generating molecules with antimicrobial and anti-inflammatory properties. The fluoro substituent, in particular, has been shown to improve binding affinity to biological targets, a crucial factor in drug design. This has prompted researchers to investigate its derivatives further, aiming to identify new therapeutic agents.

Another area where Benzaldehyde, 5-ethoxy-2-fluoro- has made significant contributions is in materials science. The unique electronic properties of halogenated aromatic compounds make them suitable candidates for use in organic electronics and optoelectronic devices. For example, thin films derived from such compounds have been explored for their potential use in organic light-emitting diodes (OLEDs) and photovoltaic cells. The ability to fine-tune the electronic characteristics through strategic functionalization has made this class of molecules attractive for developing next-generation electronic materials.

In conclusion, Benzaldehyde, 5-ethoxy-2-fluoro- (CAS no. 891842-42-5) is a multifaceted compound with broad applications across multiple scientific disciplines. Its unique structural features and reactivity make it an invaluable tool for synthetic chemists, pharmacologists, and materials scientists alike. As research continues to uncover new methodologies and applications for this compound and its derivatives, its importance is likely to grow even further. The ongoing exploration of its potential will undoubtedly lead to exciting advancements in various fields of chemistry and beyond.

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