Cas no 536723-94-1 (1-(4-ethoxy-2-hydroxy-3-methylphenyl)ethanone)

1-(4-Ethoxy-2-hydroxy-3-methylphenyl)ethanone is a specialized aromatic ketone with a molecular structure featuring ethoxy, hydroxyl, and methyl substituents on the phenyl ring. This compound is of interest in synthetic organic chemistry due to its functional group versatility, enabling its use as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and fine chemicals. The presence of both electron-donating (ethoxy, hydroxyl) and sterically influencing (methyl) groups enhances its reactivity in selective transformations, such as electrophilic substitutions or condensation reactions. Its well-defined structure and stability under controlled conditions make it a reliable building block for complex molecular frameworks.
1-(4-ethoxy-2-hydroxy-3-methylphenyl)ethanone structure
536723-94-1 structure
Product Name:1-(4-ethoxy-2-hydroxy-3-methylphenyl)ethanone
CAS No:536723-94-1
MF:C11H14O3
MW:194.227063655853
CID:1587641
PubChem ID:24882701
Update Time:2025-05-20

1-(4-ethoxy-2-hydroxy-3-methylphenyl)ethanone Chemical and Physical Properties

Names and Identifiers

    • 1-(4-Ethoxy-2-hydroxy-3-methylphenyl)ethanone
    • AG-F-84710
    • 634905_ALDRICH
    • 4'-Ethoxy-2'-hydroxy-3'-methylacetophenone
    • CTK1G7816
    • 4 inverted exclamation marka-Ethoxy-2 inverted exclamation marka-hydroxy-3 inverted exclamation marka-methylacetophenone
    • SureCN3660644
    • 1-(4-Ethoxy-2-hydroxy-3-methylphenyl)ethan-1-one
    • SCHEMBL3660644
    • DTXSID90584501
    • 4'-Ethoxy-2'-hydroxy-3'-methylacetophenone, 97%
    • 536723-94-1
    • 1-(4-ethoxy-2-hydroxy-3-methylphenyl)ethanone
    • MDL: MFCD05865197
    • Inchi: 1S/C11H14O3/c1-4-14-10-6-5-9(8(3)12)11(13)7(10)2/h5-6,13H,4H2,1-3H3
    • InChI Key: JZJNFRYRYWLJBP-UHFFFAOYSA-N
    • SMILES: O(CC)C1C=CC(C(C)=O)=C(C=1C)O

Computed Properties

  • Exact Mass: 194.09432
  • Monoisotopic Mass: 194.094294304g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 203
  • 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: 2.5
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • Melting Point: 50-54?°C (lit.)
  • PSA: 46.53

1-(4-ethoxy-2-hydroxy-3-methylphenyl)ethanone Security Information

  • Symbol: GHS06
  • Signal Word:Danger
  • Hazard Statement: H301
  • Warning Statement: P301+P310
  • Hazardous Material transportation number:UN 2811 6.1/PG 3
  • WGK Germany:3
  • Hazard Category Code: 25
  • Safety Instruction: 36/37/39-45
  • RTECS:US6504000
  • Hazardous Material Identification: T
  • Risk Phrases:25

1-(4-ethoxy-2-hydroxy-3-methylphenyl)ethanone Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd.
634905-1G
1-(4-ethoxy-2-hydroxy-3-methylphenyl)ethanone
536723-94-1 97%
1G
¥366.8 2022-02-24
XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd.
634905-5G
1-(4-ethoxy-2-hydroxy-3-methylphenyl)ethanone
536723-94-1 97%
5G
¥1204.48 2022-02-24

1-(4-ethoxy-2-hydroxy-3-methylphenyl)ethanone Related Literature

Additional information on 1-(4-ethoxy-2-hydroxy-3-methylphenyl)ethanone

Introduction to 1-(4-Ethoxy-2-Hydroxy-3-Methylphenyl)Ethanone (CAS No: 536723-94-1)

The compound 1-(4-Ethoxy-2-Hydroxy-3-Methylphenyl)Ethanone, identified by the CAS number 536723-94-1, is a fascinating molecule with a rich array of chemical and biological properties. This compound belongs to the class of aromatic ketones, which are widely studied for their versatile applications in various fields such as pharmaceuticals, agrochemicals, and materials science. The molecule's structure consists of a phenyl ring substituted with ethoxy, hydroxyl, and methyl groups, along with a ketone functional group attached to the benzene ring.

The 4-Ethoxy group introduces electron-donating effects, which can influence the compound's reactivity and solubility properties. The 2-Hydroxy group adds hydrophilicity to the molecule, making it more soluble in polar solvents. The 3-Methyl substitution contributes to the molecule's steric bulk, potentially affecting its interactions in biological systems. The presence of the Ethanone group imparts a strong carbonyl character, enabling participation in various chemical reactions such as nucleophilic additions and enolate formations.

Recent studies have highlighted the potential of 1-(4-Ethoxy-2-Hydroxy-3-Methylphenyl)Ethanone as a precursor for synthesizing bioactive molecules. For instance, researchers have explored its role in the development of anti-inflammatory agents and antioxidants due to its ability to modulate cellular signaling pathways. The compound's unique structure allows for selective interactions with biological targets, making it a valuable starting material for drug discovery programs.

In terms of synthesis, several methods have been reported for the preparation of 1-(4-Ethoxy-2-Hydroxy-3-Methylphenyl)Ethanone. One common approach involves the Friedel-Crafts acylation reaction, where an acetylating agent reacts with an appropriately substituted benzene derivative in the presence of a Lewis acid catalyst. Another method employs nucleophilic aromatic substitution strategies, leveraging the activating effects of substituents on the benzene ring to facilitate the reaction.

The compound has also found applications in the fragrance industry due to its pleasant aroma profile. Its ability to act as a precursor for more complex aromatic compounds makes it an essential building block in perfumery and flavor chemistry. Additionally, recent advancements in green chemistry have led to the exploration of enzymatic methods for synthesizing this compound, offering environmentally friendly alternatives to traditional chemical synthesis routes.

From a structural perspective, 1-(4-Ethoxy-2-Hydroxy-3-Methylphenyl)Ethanone exhibits interesting photophysical properties that have been exploited in materials science applications. For example, its conjugated system allows for absorption in the visible region of the electromagnetic spectrum, making it a candidate for use in optoelectronic devices such as organic light-emitting diodes (OLEDs). Researchers are actively investigating its potential as a dopant material in OLEDs due to its ability to enhance device efficiency and stability.

In conclusion, 1-(4-Ethoxy-2-Hydroxy-3-Methylphenyl)Ethanone is a multifaceted compound with diverse applications across various scientific domains. Its unique combination of functional groups and structural features makes it an invaluable tool for researchers and industry professionals alike. As ongoing research continues to uncover new insights into its properties and potential uses, this compound is poised to play an increasingly important role in both academic and industrial settings.

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