Cas no 122333-98-6 (2-(3-methoxy-4-methylphenyl)acetaldehyde)

2-(3-Methoxy-4-methylphenyl)acetaldehyde is a versatile aromatic aldehyde used as a key intermediate in organic synthesis and fine chemical production. Its structure, featuring a methoxy and methyl substituent on the phenyl ring, enhances reactivity and selectivity in various transformations, such as condensation, oxidation, and reductive amination reactions. This compound is particularly valuable in pharmaceutical and fragrance applications, where its stable yet reactive aldehyde group enables precise functionalization. High purity grades ensure consistent performance in complex syntheses. Its balanced electronic and steric properties make it a preferred choice for constructing heterocyclic frameworks and specialty chemicals requiring controlled reactivity.
2-(3-methoxy-4-methylphenyl)acetaldehyde structure
122333-98-6 structure
Product Name:2-(3-methoxy-4-methylphenyl)acetaldehyde
CAS No:122333-98-6
MF:C10H12O2
MW:164.201083183289
CID:1214035
PubChem ID:118199597
Update Time:2025-11-02

2-(3-methoxy-4-methylphenyl)acetaldehyde Chemical and Physical Properties

Names and Identifiers

    • (3-methoxy-4-methylphenyl)acetaldehyde
    • 4H-1,2,4-Triazole, 4-methyl-3-methoxy-5-(5-nitro-2-furyl)-
    • AG-F-48437
    • CTK4I5198
    • 4-Methyl-3-methoxy-5-(5-nitro-2-furyl)-s-triazole
    • LS-156057
    • AC1MI59I
    • 3-methoxy-4-methylphenylacetaldehyde
    • s-Triazole, 4-methyl-3-methoxy-5-(5-nitro-2-furyl)-
    • BRN 1137677
    • 3-methoxy-4-methyl-5-(5-nitro-furan-2-yl)-4H-[1,2,4]triazole
    • 4H-1,2,4-Triazole, 4-methyl-3-methoxy-5-(5-nitro-2-furyl)-; AG-F-48437; CTK4I5198; 4-Methyl-3-methoxy-5-(5-nitro-2-furyl)-s-triazole; LS-156057; AC1MI59I; 3-methoxy-4-methylphenylacetaldehyde; s-Triazole, 4-methyl-3-methoxy-5-(5-nitro-2-furyl)-; BRN 1137677; 3-methoxy-4-methyl-5-(5-nitro-furan-2-yl)-4H-[1,2,4]triazole;
    • 2-(3-Methoxy-4-Methylphenyl)acetaldehyde
    • EN300-1840876
    • 3-Methoxy-4-methylbenzeneacetaldehyde
    • SCHEMBL16865526
    • DTXSID101288424
    • 122333-98-6
    • 2-(3-methoxy-4-methylphenyl)acetaldehyde
    • Inchi: 1S/C10H12O2/c1-8-3-4-9(5-6-11)7-10(8)12-2/h3-4,6-7H,5H2,1-2H3
    • InChI Key: BQKGVXOLUUTAIJ-UHFFFAOYSA-N
    • SMILES: O(C)C1C=C(CC=O)C=CC=1C

Computed Properties

  • Exact Mass: 164.084
  • Monoisotopic Mass: 164.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 145
  • 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: 26.3A^2
  • XLogP3: 1.7

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Additional information on 2-(3-methoxy-4-methylphenyl)acetaldehyde

Comprehensive Guide to 2-(3-methoxy-4-methylphenyl)acetaldehyde (CAS No. 122333-98-6)

2-(3-methoxy-4-methylphenyl)acetaldehyde (CAS No. 122333-98-6) is an important aromatic aldehyde widely used in the fragrance and pharmaceutical industries. This compound, characterized by its distinct methoxy and methyl functional groups, plays a crucial role in the synthesis of various fine chemicals. With increasing interest in sustainable and bio-based chemicals, researchers are exploring its potential in green chemistry applications.

The molecular structure of 2-(3-methoxy-4-methylphenyl)acetaldehyde features a benzene ring substituted with both methoxy (-OCH3) and methyl (-CH3) groups at the 3rd and 4th positions, respectively, along with an acetaldehyde side chain. This unique arrangement contributes to its chemical reactivity and makes it valuable for creating complex molecules. Many users searching for "methoxy-substituted aldehydes" or "aromatic aldehyde applications" will find this compound particularly relevant to their research.

In the fragrance industry, 2-(3-methoxy-4-methylphenyl)acetaldehyde is prized for its ability to contribute warm, woody notes to perfumes and cosmetic formulations. Recent trends in "clean beauty ingredients" have increased demand for well-characterized aromatic compounds like this one. The compound's low volatility and good stability make it especially suitable for long-lasting fragrance applications.

Pharmaceutical researchers are investigating 2-(3-methoxy-4-methylphenyl)acetaldehyde as a potential building block for drug discovery. Its structural features make it interesting for developing CNS-active compounds, particularly in light of growing interest in "neuroprotective agents" and "blood-brain barrier permeable molecules". The compound's electron-rich aromatic system allows for diverse chemical modifications, enabling medicinal chemists to create targeted molecular libraries.

The synthesis of 2-(3-methoxy-4-methylphenyl)acetaldehyde typically involves oxidation of corresponding alcohols or reductive cleavage of appropriate precursors. Current research focuses on developing more atom-efficient synthetic routes to meet the growing demand for this specialty chemical. Many organic chemists search for "green synthesis of aromatic aldehydes" or "catalytic oxidation methods" to improve production processes.

Analytical characterization of 2-(3-methoxy-4-methylphenyl)acetaldehyde is typically performed using GC-MS, HPLC, and NMR spectroscopy. The compound shows characteristic signals in 1H NMR around 9.7 ppm for the aldehyde proton and distinctive aromatic patterns between 6.7-7.3 ppm. These analytical features are important for quality control in industrial applications and are frequently searched by professionals needing "NMR data for substituted benzaldehydes".

Market trends indicate growing demand for 2-(3-methoxy-4-methylphenyl)acetaldehyde in Asia-Pacific regions, particularly for flavor and fragrance applications. The compound's regulatory status as a non-restricted chemical in most jurisdictions makes it attractive for international trade. Business professionals often search for "specialty aldehydes market analysis" to understand these dynamics.

Storage and handling of 2-(3-methoxy-4-methylphenyl)acetaldehyde require standard precautions for oxygen-sensitive compounds. It should be kept in air-tight containers under inert atmosphere to prevent oxidation. These practical considerations are important for laboratory technicians searching for "best practices for aldehyde storage" or "handling air-sensitive aldehydes".

Future research directions for 2-(3-methoxy-4-methylphenyl)acetaldehyde include exploring its potential in material science applications, particularly as a precursor for conducting polymers and organic electronic materials. The compound's conjugated system and electron-donating groups make it interesting for these emerging applications that align with current interests in "organic semiconductors" and "flexible electronics".

In conclusion, 2-(3-methoxy-4-methylphenyl)acetaldehyde (CAS No. 122333-98-6) represents a versatile aromatic aldehyde with significant applications across multiple industries. Its unique chemical properties continue to attract research interest, particularly in contexts of sustainable chemistry and advanced material development. Professionals searching for "specialty aromatic compounds" or "functional aldehyde applications" will find this compound particularly noteworthy.

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