Cas no 2020-90-8 ((2,4,5-Trimethoxyphenyl)acetone)

(2,4,5-Trimethoxyphenyl)acetone structure
2020-90-8 structure
Product Name:(2,4,5-Trimethoxyphenyl)acetone
CAS No:2020-90-8
MF:C12H16O4
MW:224.253044128418
CID:1094963
PubChem ID:3083746
Update Time:2025-04-24

(2,4,5-Trimethoxyphenyl)acetone Chemical and Physical Properties

Names and Identifiers

    • 1-(2,4,5-Trimethoxyphenyl)propan-2-one
    • (2,4,5-trimethoxy-phenyl)-acetone
    • 1-(2,4,5-trimethoxyphenyl)-2-propanone
    • 1-(2',4',5'-trimethoxyphenyl)-2-propanone
    • 1-(2,4,5-Trimethoxyphenyl)Acetone
    • 2,4,5-Trimethoxyphenylacetone
    • 2-Propanone, 1-(2,4,5-trimethoxyphenyl)-
    • AC1MJ172
    • AC1Q48CI
    • Acoramone
    • CHEBI:582191
    • CHEMBL481233
    • SureCN6554363
    • SCHEMBL6554363
    • 2-Propanone, (2,4,5-trimethoxyphenyl)-
    • CS-0272132
    • 1-(2,4,5-Trimethoxyphenyl)-2-propanone, 9CI
    • EN300-1870519
    • DTXSID10174044
    • AQZHZTTUVYQMIN-UHFFFAOYSA-N
    • CHEBI:174152
    • BDBM50259869
    • DLB6EBD3DX
    • 2020-90-8
    • UNII-DLB6EBD3DX
    • (2,4,5-Trimethoxyphenyl)acetone
    • Inchi: 1S/C12H16O4/c1-8(13)5-9-6-11(15-3)12(16-4)7-10(9)14-2/h6-7H,5H2,1-4H3
    • InChI Key: AQZHZTTUVYQMIN-UHFFFAOYSA-N
    • SMILES: O(C)C1C=C(C(=CC=1CC(C)=O)OC)OC

Computed Properties

  • Exact Mass: 224.10488
  • Monoisotopic Mass: 224.105
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 229
  • 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: 1.6
  • Topological Polar Surface Area: 44.8?2

Experimental Properties

  • Density: 1.078
  • Boiling Point: 323.1°C at 760 mmHg
  • Flash Point: 140.5°C
  • Refractive Index: 1.493
  • PSA: 44.76

(2,4,5-Trimethoxyphenyl)acetone Pricemore >>

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Additional information on (2,4,5-Trimethoxyphenyl)acetone

1-(2,4,5-Trimethoxyphenyl)propan-2-one (CAS 2020-90-8): A Comprehensive Guide to Properties and Applications

1-(2,4,5-Trimethoxyphenyl)propan-2-one (CAS 2020-90-8) is an organic compound belonging to the class of aromatic ketones. This trimethoxyphenyl derivative has gained significant attention in recent years due to its unique chemical structure and versatile applications in various industries. The compound features a propan-2-one moiety attached to a 2,4,5-trimethoxyphenyl ring, creating distinct electronic and steric properties that make it valuable for specialized applications.

The molecular formula of 1-(2,4,5-Trimethoxyphenyl)propan-2-one is C12H16O4, with a molecular weight of 224.25 g/mol. Its chemical structure contains three methoxy (-OCH3) groups at positions 2, 4, and 5 on the phenyl ring, which significantly influence its reactivity and physical properties. Recent studies in organic synthesis methodologies have highlighted the compound's potential as a building block for more complex molecules, particularly in pharmaceutical research and material science applications.

From a physical properties perspective, 1-(2,4,5-Trimethoxyphenyl)propan-2-one typically appears as a white to off-white crystalline powder at room temperature. It exhibits moderate solubility in common organic solvents such as ethanol, methanol, and dichloromethane, but limited solubility in water. These solubility characteristics make it particularly useful in organic synthesis applications where controlled reactivity is desired. The compound's melting point ranges between 80-85°C, and it shows good thermal stability under normal conditions.

In the pharmaceutical sector, 1-(2,4,5-Trimethoxyphenyl)propan-2-one has attracted interest as a potential intermediate for drug development. Researchers are particularly focused on its structure-activity relationships in medicinal chemistry applications. The compound's unique aromatic substitution pattern makes it a valuable scaffold for designing molecules with specific biological activities. Recent publications in medicinal chemistry journals have explored its potential in developing novel therapeutic agents, though extensive clinical studies would be required for any pharmaceutical applications.

The material science field has also shown growing interest in 1-(2,4,5-Trimethoxyphenyl)propan-2-one as a precursor for advanced materials. Its electron-rich aromatic system makes it suitable for developing organic electronic materials with specific optoelectronic properties. Researchers are investigating its potential in creating novel polymers and small-molecule semiconductors for applications in organic light-emitting diodes (OLEDs) and other electronic devices. These applications align with current industry trends toward sustainable and organic-based electronic components.

From a synthetic chemistry perspective, 1-(2,4,5-Trimethoxyphenyl)propan-2-one offers several advantages. The compound can be synthesized through various routes, including Friedel-Crafts acylation reactions using appropriate starting materials. Recent advancements in green chemistry approaches have focused on optimizing the synthesis of such compounds with improved yields and reduced environmental impact. These developments are particularly relevant given the current emphasis on sustainable chemical processes in industrial applications.

Quality control and analytical characterization of 1-(2,4,5-Trimethoxyphenyl)propan-2-one typically involve techniques such as high-performance liquid chromatography (HPLC), gas chromatography-mass spectrometry (GC-MS), and nuclear magnetic resonance (NMR) spectroscopy. These analytical methods ensure the compound meets the required purity standards for various applications. Recent improvements in analytical chemistry techniques have enhanced the ability to characterize such compounds with greater precision and accuracy.

The market for specialized organic compounds like 1-(2,4,5-Trimethoxyphenyl)propan-2-one has shown steady growth in recent years. Industry reports indicate increasing demand from research institutions and specialty chemical manufacturers. This trend reflects the broader expansion of the fine chemicals market, particularly for compounds with potential applications in life sciences and advanced materials. Current market analysis suggests continued interest in such structurally unique molecules for both research and potential commercial applications.

Safety considerations for handling 1-(2,4,5-Trimethoxyphenyl)propan-2-one follow standard laboratory practices for organic compounds. While not classified as highly hazardous, proper personal protective equipment including gloves and safety glasses should be used when working with this material. Storage recommendations typically suggest keeping the compound in a cool, dry place away from strong oxidizing agents. These handling protocols align with current laboratory safety standards for organic chemical reagents.

Future research directions for 1-(2,4,5-Trimethoxyphenyl)propan-2-one may explore its potential in emerging areas such as green chemistry applications and sustainable material development. The compound's structural features make it an interesting candidate for catalytic applications and as a building block for environmentally friendly materials. Additionally, ongoing investigations into its potential biological activities could open new avenues in medicinal chemistry research, particularly in addressing current challenges in drug discovery and development.

In conclusion, 1-(2,4,5-Trimethoxyphenyl)propan-2-one (CAS 2020-90-8) represents an important compound in modern organic chemistry with diverse potential applications. Its unique structural characteristics continue to attract research interest across multiple disciplines, from pharmaceutical development to advanced materials science. As scientific understanding of this trimethoxyphenyl ketone derivative grows, so too does its potential to contribute to innovations in various technological and scientific fields.

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