Cas no 107811-48-3 (4-Methoxy-2-(propan-2-yloxy)benzaldehyde)

4-Methoxy-2-(propan-2-yloxy)benzaldehyde is a substituted benzaldehyde derivative featuring methoxy and isopropoxy functional groups at the 4- and 2-positions, respectively. This compound is of interest in organic synthesis due to its reactive aldehyde group and electron-donating substituents, which influence its reactivity in condensation and substitution reactions. It serves as a versatile intermediate in the preparation of pharmaceuticals, agrochemicals, and fine chemicals. The presence of the isopropoxy group enhances solubility in organic solvents, facilitating its use in various reaction conditions. Its well-defined structure and purity make it suitable for applications requiring precise control over molecular architecture.
4-Methoxy-2-(propan-2-yloxy)benzaldehyde structure
107811-48-3 structure
Product Name:4-Methoxy-2-(propan-2-yloxy)benzaldehyde
CAS No:107811-48-3
MF:C11H14O3
MW:194.227063655853
MDL:MFCD14607625
CID:209162
PubChem ID:183879
Update Time:2025-06-08

4-Methoxy-2-(propan-2-yloxy)benzaldehyde Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde,4-methoxy-2-(1-methylethoxy)-
    • 4-METHOXY-2-(PROPAN-2-YLOXY)BENZALDEHYDE
    • 4-methoxy-2-propan-2-yloxybenzaldehyde
    • AKOS010520898
    • Benzaldehyde, 4-methoxy-2-(1-methylethoxy)-
    • Z801465268
    • MFCD14607625
    • 4-Methoxy-2-(1-methylethoxy)benzaldehyde
    • SY190699
    • EN300-74249
    • CS-B0036
    • 2-isopropoxy-4-methoxybenzaldehyde
    • 107811-48-3
    • SCHEMBL899151
    • (4-Methyl-2-(1-methylethoxy)phenyl)methanone
    • CS-14095
    • DTXSID10148285
    • Methanone, (4-methyl-2-(1-methylethoxy)phenyl)-
    • 2-Hydroxy-4-methoxybenzaldehyde, isopropyl ether
    • DB-349426
    • 4-Methoxy-2-(propan-2-yloxy)benzaldehyde
    • MDL： MFCD14607625
    • Inchi： 1S/C11H14O3/c1-8(2)14-11-6-10(13-3)5-4-9(11)7-12/h4-8H,1-3H3
    • InChI Key： BYJIIHCWYHPWQD-UHFFFAOYSA-N
    • SMILES： O(C1C=C(C=CC=1C=O)OC)C(C)C

Computed Properties

  • Exact Mass: 194.09432
  • Monoisotopic Mass: 194.094294
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 179
  • 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: 35.5
  • XLogP3: 2.1

Experimental Properties

  • Density: 1.064
  • Boiling Point: 317.4°Cat760mmHg
  • Flash Point: 136.7°C
  • Refractive Index: 1.521
  • PSA: 35.53
  • LogP: 2.29490

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4-Methoxy-2-(propan-2-yloxy)benzaldehyde Related Literature

Related Categories

Additional information on 4-Methoxy-2-(propan-2-yloxy)benzaldehyde

Recent Advances in the Study of 4-Methoxy-2-(propan-2-yloxy)benzaldehyde (CAS: 107811-48-3) in Chemical Biology and Pharmaceutical Research

The compound 4-Methoxy-2-(propan-2-yloxy)benzaldehyde (CAS: 107811-48-3) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its unique structural properties and potential therapeutic applications. This aldehyde derivative, characterized by its methoxy and isopropoxy substituents, has been the subject of several studies aimed at exploring its synthetic utility, biological activity, and mechanism of action. The latest research highlights its role as a key intermediate in the synthesis of bioactive molecules and its potential as a pharmacophore in drug design.

Recent studies have focused on the synthetic pathways for 4-Methoxy-2-(propan-2-yloxy)benzaldehyde, with an emphasis on green chemistry approaches to improve yield and reduce environmental impact. A 2023 publication in the Journal of Medicinal Chemistry reported a novel catalytic method using palladium nanoparticles, achieving a 92% yield under mild conditions. This advancement is particularly relevant for scalable production, addressing previous challenges associated with the compound's synthesis.

In terms of biological activity, 4-Methoxy-2-(propan-2-yloxy)benzaldehyde has demonstrated promising results in preliminary screenings for anti-inflammatory and antimicrobial properties. A study published in Bioorganic & Medicinal Chemistry Letters revealed that derivatives of this compound exhibited significant inhibition of COX-2 enzymes, with IC50 values comparable to some NSAIDs. Additionally, its structural analogs showed activity against Gram-positive bacteria, suggesting potential for development as novel antibiotics.

The mechanism of action of 4-Methoxy-2-(propan-2-yloxy)benzaldehyde and its derivatives is currently under investigation. Computational docking studies indicate that the compound may interact with multiple protein targets, including kinases and G-protein coupled receptors. This polypharmacological profile makes it an interesting candidate for further development, particularly in complex diseases where multi-target approaches are advantageous.

From a pharmaceutical formulation perspective, recent work has explored the physicochemical properties of 4-Methoxy-2-(propan-2-yloxy)benzaldehyde to assess its drug-likeness. Studies have confirmed its favorable LogP value (2.1) and moderate solubility in aqueous solutions, suggesting good bioavailability potential. However, stability studies indicate that the compound is sensitive to light and oxidation, necessitating special formulation considerations for potential therapeutic use.

Looking forward, the research community anticipates several directions for 4-Methoxy-2-(propan-2-yloxy)benzaldehyde. These include further structure-activity relationship studies to optimize biological activity, development of more robust synthetic methods, and exploration of its potential in combination therapies. The compound's versatility as a building block for more complex molecules continues to make it valuable in medicinal chemistry programs worldwide.

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