Cas no 53483-20-8 (3-(3,5-Dimethyl-4-methoxyphenyl)-2-methyl-1-propene)

3-(3,5-Dimethyl-4-methoxyphenyl)-2-methyl-1-propene is a specialized organic compound featuring a substituted phenyl ring with methoxy and methyl groups, coupled with a propene moiety. Its structure offers versatility in synthetic applications, particularly as an intermediate in pharmaceuticals, agrochemicals, and fine chemical synthesis. The presence of electron-donating groups enhances reactivity in electrophilic aromatic substitution and cross-coupling reactions. The compound’s stability under standard conditions and well-defined stereochemistry make it a reliable building block for complex molecular frameworks. Its purity and consistent performance are critical for reproducible results in research and industrial processes. Suitable for controlled environments, it requires handling with appropriate safety precautions due to its organic nature.
3-(3,5-Dimethyl-4-methoxyphenyl)-2-methyl-1-propene structure
53483-20-8 structure
Product Name:3-(3,5-Dimethyl-4-methoxyphenyl)-2-methyl-1-propene
CAS No:53483-20-8
MF:C13H18O
MW:190.281424045563
MDL:MFCD09801273
CID:1582755
PubChem ID:24722057
Update Time:2025-06-23

3-(3,5-Dimethyl-4-methoxyphenyl)-2-methyl-1-propene Chemical and Physical Properties

Names and Identifiers

    • 2-methoxy-1,3-dimethyl-5-(2-methylprop-2-enyl)benzene
    • LogP
    • 3-(3,5-Dimethyl-4-methoxyphenyl)-2-methyl-1-propene
    • 53483-20-8
    • 2-Methoxy-1,3-dimethyl-5-(2-methylallyl)benzene
    • DTXSID60641231
    • DB-303808
    • 2-Methoxy-1,3-dimethyl-5-(2-methylprop-2-en-1-yl)benzene
    • MFCD09801273
    • AKOS006326732
    • MDL: MFCD09801273
    • Inchi: 1S/C13H18O/c1-9(2)6-12-7-10(3)13(14-5)11(4)8-12/h7-8H,1,6H2,2-5H3
    • InChI Key: JTNBOLXRLGFCRJ-UHFFFAOYSA-N
    • SMILES: O(C)C1C(C)=CC(=CC=1C)CC(=C)C

Computed Properties

  • Exact Mass: 190.13584
  • Monoisotopic Mass: 190.135765193g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 185
  • 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: 4.3
  • Topological Polar Surface Area: 9.2?2

Experimental Properties

  • PSA: 9.23

3-(3,5-Dimethyl-4-methoxyphenyl)-2-methyl-1-propene Pricemore >>

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Additional information on 3-(3,5-Dimethyl-4-methoxyphenyl)-2-methyl-1-propene

Professional Introduction to Compound with CAS No. 53483-20-8 and Product Name: 3-(3,5-Dimethyl-4-methoxyphenyl)-2-methyl-1-propene

The compound in question, identified by the CAS No. 53483-20-8, is a specialized organic molecule with a distinct chemical structure that has garnered attention in the field of pharmaceutical research and development. The product name: 3-(3,5-Dimethyl-4-methoxyphenyl)-2-methyl-1-propene highlights its unique aromatic and aliphatic characteristics, making it a subject of interest for synthetic chemists and biologists exploring novel therapeutic agents.

At the core of this compound's identity is its phenyl ring substituted with 3,5-dimethyl and 4-methoxy groups, which contribute to its complex electronic properties and potential interactions with biological targets. The presence of a double bond in the 2-methyl-1-propene moiety further enhances its reactivity, allowing for diverse functionalization strategies. These structural features make it a valuable intermediate in the synthesis of more complex molecules, particularly in the development of drugs targeting neurological and inflammatory disorders.

Recent advancements in computational chemistry have enabled researchers to predict the biological activity of such compounds with greater precision. Studies utilizing molecular docking simulations have suggested that derivatives of 3-(3,5-Dimethyl-4-methoxyphenyl)-2-methyl-1-propene may exhibit inhibitory effects on certain enzymes implicated in chronic diseases. For instance, preliminary data indicate potential interactions with cyclooxygenase (COX) enzymes, which are key players in the inflammatory response. This aligns with ongoing research efforts to identify selective COX inhibitors as alternatives to nonsteroidal anti-inflammatory drugs (NSAIDs), which often come with significant side effects.

In addition to its pharmacological relevance, this compound has shown promise in material science applications. Its aromatic framework and alkene functionality make it a candidate for polymer modifications, where it could enhance thermal stability or mechanical strength. Researchers are exploring its incorporation into advanced coatings and adhesives, leveraging its ability to form stable cross-links under controlled conditions. Such applications underscore the versatility of organic compounds derived from similar structural motifs.

The synthesis of 3-(3,5-Dimethyl-4-methoxyphenyl)-2-methyl-1-propene involves multi-step organic reactions that require careful optimization to achieve high yields and purity. Common methodologies include Friedel-Crafts alkylation followed by methylation and demethylation steps to introduce the desired substituents. Advances in catalytic systems, such as transition metal complexes, have streamlined these processes, reducing reaction times and minimizing waste. Green chemistry principles are also being integrated into these synthetic routes to enhance sustainability.

From a regulatory perspective, compounds like this one must undergo rigorous testing to ensure safety and efficacy before they can be considered for clinical use. Preclinical studies involving cell culture assays and animal models are essential to evaluate their pharmacokinetic profiles and potential toxicities. Collaborative efforts between academic institutions and pharmaceutical companies have accelerated this process by sharing resources and leveraging cutting-edge technologies. For example, high-throughput screening (HTS) platforms have enabled rapid testing of thousands of compounds against various biological targets, including those relevant to 3-(3,5-Dimethyl-4-methoxyphenyl)-2-methyl-1-propene.

The role of natural product-inspired chemistry cannot be overstated in the development of novel drug candidates. Many bioactive molecules share structural similarities with compounds derived from plants or microorganisms, suggesting that nature remains a rich source of inspiration for synthetic chemists. In this context, derivatives of 3-(3,5-Dimethyl-4-methoxyphenyl)-2-methyl-1-propene could serve as scaffolds for designing molecules with enhanced binding affinity or selectivity. Techniques such as structure-based drug design (SBDD) are being employed to modify these scaffolds iteratively based on experimental data.

Future directions in research may explore the use of this compound as a precursor for photoactive materials or sensors. Its ability to absorb light across specific wavelengths makes it suitable for applications in optoelectronics or photodynamic therapy (PDT). By incorporating functional groups that respond to light exposure, researchers aim to develop systems capable of releasing therapeutic agents at targeted sites within biological tissues. Such innovations could revolutionize treatment strategies for conditions like cancer by enabling precise drug delivery.

In conclusion, the compound identified by CAS No. 53483-20-8 and named 3-(3,5-Dimethyl-4-methoxyphenyl)-2-methyl-1-propene represents a fascinating intersection of organic chemistry and biomedical research. Its unique structural features offer opportunities for developing new therapeutic agents while also finding utility in advanced materials science applications. As our understanding of molecular interactions continues to evolve through interdisciplinary collaboration and technological advancements, compounds like this one will undoubtedly play a pivotal role in shaping the future of medicine and materials engineering.

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