Cas no 55469-26-6 (3-(2-Methoxy-5-methylphenyl)-1-propene)

3-(2-Methoxy-5-methylphenyl)-1-propene is a substituted phenylpropene compound characterized by a methoxy group at the 2-position and a methyl group at the 5-position of the phenyl ring. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly for the preparation of fine chemicals and pharmaceuticals. The methoxy and methyl substituents influence its electronic and steric properties, enhancing selectivity in coupling and functionalization reactions. Its stable yet modifiable propene side chain allows for further derivatization, offering versatility in constructing complex molecular frameworks. The compound is typically handled under standard laboratory conditions, ensuring compatibility with a range of synthetic methodologies.
3-(2-Methoxy-5-methylphenyl)-1-propene structure
55469-26-6 structure
Product Name:3-(2-Methoxy-5-methylphenyl)-1-propene
CAS No:55469-26-6
MF:C11H14O
MW:162.228263378143
MDL:MFCD07775071
CID:943994
PubChem ID:347972
Update Time:2025-06-07

3-(2-Methoxy-5-methylphenyl)-1-propene Chemical and Physical Properties

Names and Identifiers

    • 1-methoxy-4-methyl-2-(prop-2-en-1-yl)benzene
    • 1-methoxy-4-methyl-2-prop-2-enylbenzene
    • 3-(2-METHOXY-5-METHYLPHENYL)-1-PROPENE
    • 1-allyl-2-methoxy-5-methylbenzene
    • 2-Allyl-4-methyl-anisol
    • 2-allyl-4-methyl-anisole
    • 3-allyl-4-methoxy-toluene
    • 4-Methoxy-1-methyl-3-allyl-benzol
    • 2-Allyl-1-methoxy-4-methylbenzene
    • SCHEMBL10328509
    • MFCD07775071
    • 4-methyl-2-allylphenol methyl ether
    • 55469-26-6
    • AKOS006287078
    • DB-293478
    • DTXSID90324525
    • NSC-406927
    • NSC406927
    • 3-(2-Methoxy-5-methylphenyl)-1-propene
    • MDL: MFCD07775071
    • Inchi: 1S/C11H14O/c1-4-5-10-8-9(2)6-7-11(10)12-3/h4,6-8H,1,5H2,2-3H3
    • InChI Key: NUQQWFHFQLTZEM-UHFFFAOYSA-N
    • SMILES: O(C)C1C=CC(C)=CC=1CC=C

Computed Properties

  • Exact Mass: 162.10400
  • Monoisotopic Mass: 162.104465066g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 142
  • 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: 3.3
  • Topological Polar Surface Area: 9.2?2

Experimental Properties

  • PSA: 9.23000
  • LogP: 2.73210

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Additional information on 3-(2-Methoxy-5-methylphenyl)-1-propene

Introduction to 3-(2-Methoxy-5-methylphenyl)-1-propene (CAS No. 55469-26-6) and Its Emerging Applications in Chemical Biology

3-(2-Methoxy-5-methylphenyl)-1-propene, identified by the Chemical Abstracts Service Number (CAS No.) 55469-26-6, is a significant organic compound that has garnered attention in the field of chemical biology due to its unique structural and functional properties. This molecule, featuring a phenyl ring substituted with both methoxy and methyl groups, along with an alkenyl side chain, presents a versatile scaffold for further chemical modifications and biological investigations. The compound's dual substitution pattern on the aromatic ring enhances its reactivity, making it a valuable intermediate in the synthesis of more complex molecules.

The structural features of 3-(2-Methoxy-5-methylphenyl)-1-propene contribute to its potential applications in various biochemical pathways. The methoxy group at the 2-position and the methyl group at the 5-position introduce electron-donating effects, which can influence the compound's electronic properties and interactions with biological targets. Additionally, the presence of an alkenyl group at the 1-position provides a site for further functionalization, enabling the creation of derivatives with tailored biological activities.

In recent years, there has been a growing interest in exploring the pharmacological potential of compounds with similar structural motifs. The phenyl ring, combined with alkyl and alkenyl substituents, is a common feature in many bioactive molecules. For instance, studies have shown that phenyl derivatives can interact with enzymes and receptors, modulating various cellular processes. The specific arrangement of substituents in 3-(2-Methoxy-5-methylphenyl)-1-propene may confer unique binding properties, making it a promising candidate for drug discovery efforts.

One of the most exciting aspects of 3-(2-Methoxy-5-methylphenyl)-1-propene is its utility as a building block in synthetic chemistry. The compound's reactivity allows for diverse transformations, including electrophilic additions, nucleophilic substitutions, and cross-coupling reactions. These reactions can be leveraged to construct more complex molecules with potential therapeutic applications. For example, researchers have utilized similar phenylalkene derivatives to develop novel inhibitors targeting specific enzymes involved in metabolic pathways.

Recent advancements in computational chemistry have further enhanced the understanding of how 3-(2-Methoxy-5-methylphenyl)-1-propene interacts with biological systems. Molecular modeling studies have revealed that the compound can adopt multiple conformations depending on its environment, which may influence its binding affinity to biological targets. These insights are crucial for designing derivatives with improved pharmacokinetic properties. Additionally, virtual screening techniques have been employed to identify potential lead compounds derived from 3-(2-Methoxy-5-methylphenyl)-1-propene, streamlining the drug discovery process.

The role of 3-(2-Methoxy-5-methylphenyl)-1-propene in medicinal chemistry extends beyond simple intermediates. It serves as a platform for exploring structure-activity relationships (SAR), allowing researchers to fine-tune molecular properties for optimal biological activity. For instance, modifications to the methoxy or methyl groups can alter electronic distributions across the aromatic ring, affecting interactions with enzymes or receptors. Such fine-tuning is essential for developing drugs with high specificity and low toxicity.

In conclusion, 3-(2-Methoxy-5-methylphenyl)-1-propene (CAS No. 55469-26-6) represents a versatile and promising compound in chemical biology and pharmaceutical research. Its unique structural features and reactivity make it an invaluable tool for synthesizing complex molecules with potential therapeutic applications. As research continues to uncover new ways to utilize this compound, its importance in drug discovery and biochemical investigations is likely to grow even further.

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