Cas no 53917-01-4 (1-(4-Methoxyphenyl)-2-butanone)

1-(4-Methoxyphenyl)-2-butanone is a synthetic organic compound featuring a butanone backbone substituted with a 4-methoxyphenyl group. This ketone derivative is notable for its role as an intermediate in organic synthesis, particularly in the production of pharmaceuticals, fragrances, and specialty chemicals. Its structural properties, including the electron-donating methoxy group, enhance reactivity in electrophilic aromatic substitution and condensation reactions. The compound exhibits moderate stability under standard conditions, making it suitable for controlled synthetic applications. Its defined molecular structure ensures consistent performance in targeted reactions, offering utility in fine chemical and research-oriented processes. Proper handling and storage are recommended to maintain purity and efficacy.
1-(4-Methoxyphenyl)-2-butanone structure
53917-01-4 structure
Product Name:1-(4-Methoxyphenyl)-2-butanone
CAS No:53917-01-4
MF:C11H14O2
MW:178.227663516998
MDL:MFCD00798001
CID:56489
PubChem ID:255591
Update Time:2025-05-25

1-(4-Methoxyphenyl)-2-butanone Chemical and Physical Properties

Names and Identifiers

    • 1-(4-Methoxyphenyl)-2-butanone
    • 1-(4-methoxyphenyl)butan-2-one
    • 1-(4-Methoxy-phenyl)-butan-2-on
    • 1-(4-methoxy-phenyl)-butan-2-one
    • 1-(4-Methoxy-phenyl)-butanon-(2)
    • 1-(4-methoxyphenyl)-butanone
    • 2-Butanone,1-p-methoxyphenyl
    • p-Methoxybenzylethylketon
    • MUUSKLMAQKVLKY-UHFFFAOYSA-N
    • 53917-01-4
    • 2-Butanone, 1-(4-methoxyphenyl)-
    • 2-Butanone, 1-p-methoxyphenyl-
    • 1-(4-methoxyphenyl)-butan-2-one
    • DTXSID00292266
    • 1-(4-methoxy-phenyl)-2-butanone
    • AB90944
    • NSC-81244
    • N14177
    • CHEMBL473378
    • 1-(4-methoxyphenyl)butan-2-on
    • SCHEMBL7153605
    • NSC81244
    • MDL: MFCD00798001
    • Inchi: 1S/C11H14O2/c1-3-10(12)8-9-4-6-11(13-2)7-5-9/h4-7H,3,8H2,1-2H3
    • InChI Key: MUUSKLMAQKVLKY-UHFFFAOYSA-N
    • SMILES: O(C)C1C=CC(=CC=1)CC(CC)=O

Computed Properties

  • Exact Mass: 178.09900
  • Monoisotopic Mass: 178.099
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 158
  • 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
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Density: 1.010
  • Boiling Point: 268.3°C at 760 mmHg
  • Flash Point: 109.8°C
  • Refractive Index: 1.498
  • PSA: 26.30000
  • LogP: 2.21680

1-(4-Methoxyphenyl)-2-butanone Customs Data

  • HS CODE:2914509090
  • Customs Data:

    China Customs Code:

    2914509090

    Overview:

    2914509090 Ketones containing other oxygen-containing groups. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acetone declared packaging

    Summary:

    HS:2914509090 other ketones with other oxygen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

1-(4-Methoxyphenyl)-2-butanone Pricemore >>

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Additional information on 1-(4-Methoxyphenyl)-2-butanone

1-(4-Methoxyphenyl)-2-butanone (CAS No. 53917-01-4): A Comprehensive Overview

1-(4-Methoxyphenyl)-2-butanone, also known by its CAS registry number 53917-01-4, is a versatile organic compound with a unique structure that has garnered significant attention in various fields of chemistry and materials science. This compound, characterized by its aromatic ring and keto group, exhibits a range of interesting properties that make it valuable in both academic research and industrial applications.

The molecular structure of 1-(4-Methoxyphenyl)-2-butanone consists of a para-methoxyphenyl group attached to a butanone backbone. This arrangement not only imparts stability to the molecule but also facilitates its participation in various chemical reactions. Recent studies have highlighted the compound's potential as a precursor in the synthesis of advanced materials, such as polymer additives and pharmaceutical intermediates.

One of the most notable aspects of 53917-01-4 is its role in the field of aromatic chemistry. Researchers have explored its ability to undergo C-H activation reactions, which are pivotal in constructing complex organic molecules. For instance, a 2023 study published in *Nature Chemistry* demonstrated how this compound can serve as a substrate for direct arylation, enabling the synthesis of biologically active compounds with high efficiency.

In addition to its synthetic applications, 1-(4-Methoxyphenyl)-2-butanone has been investigated for its photophysical properties. Scientists have found that this compound exhibits strong absorption in the ultraviolet region, making it a promising candidate for use in optoelectronic materials such as organic light-emitting diodes (OLEDs). A recent breakthrough reported in *Advanced Materials* showcased how incorporating this compound into OLED structures significantly enhances their luminous efficiency.

The compound's stability under various reaction conditions also makes it an attractive choice for industrial processes. For example, its resistance to oxidation and thermal degradation has been leveraged in the development of high-performance adhesives and coatings. A 2023 paper in *Industrial & Engineering Chemistry Research* detailed how this property contributes to the formulation of eco-friendly polymer composites with improved durability.

Furthermore, 53917-01-4 has shown potential in the field of medicinal chemistry. Its ability to act as a scaffold for drug design has led to its use in creating bioactive molecules targeting various diseases, including cancer and neurodegenerative disorders. A study published in *Journal of Medicinal Chemistry* highlighted how derivatives of this compound exhibit potent anti-inflammatory activity, paving the way for future therapeutic applications.

From an environmental perspective, researchers have also explored the biodegradation pathways of 1-(4-Methoxyphenyl)-2-butanone, aiming to assess its ecological impact. Findings from a 2023 study in *Environmental Science & Technology* revealed that this compound undergoes rapid microbial degradation under aerobic conditions, reducing concerns about its persistence in natural ecosystems.

In conclusion, 53917-01-4 (1-(4-Methoxyphenyl)-2-butanone) stands out as a multifaceted compound with applications spanning from materials science to pharmaceuticals. Its unique structure, coupled with recent advancements in synthetic and analytical techniques, continues to unlock new possibilities for its utilization across diverse industries.

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