Cas no 5333-29-9 (1-(3,5-dimethoxyphenyl)pentan-1-one)

1-(3,5-Dimethoxyphenyl)pentan-1-one is a synthetic aromatic ketone characterized by its dimethoxy-substituted phenyl ring and pentanone backbone. This compound is primarily utilized in organic synthesis and pharmaceutical research due to its role as a versatile intermediate. Its structural features, including electron-donating methoxy groups, enhance reactivity in electrophilic substitution and condensation reactions. The compound exhibits favorable solubility in common organic solvents, facilitating its use in multi-step synthetic processes. Its stability under standard conditions and well-defined crystalline properties make it suitable for precise applications in medicinal chemistry and material science. Analytical methods such as GC-MS and HPLC confirm its high purity, ensuring reproducibility in research and industrial settings.
1-(3,5-dimethoxyphenyl)pentan-1-one structure
5333-29-9 structure
Product Name:1-(3,5-dimethoxyphenyl)pentan-1-one
CAS No:5333-29-9
MF:C13H18O3
MW:222.280224323273
CID:1582217
PubChem ID:219388
Update Time:2025-05-19

1-(3,5-dimethoxyphenyl)pentan-1-one Chemical and Physical Properties

Names and Identifiers

    • 1-(3,5-dimethoxyphenyl)pentan-1-one
    • 1-(3,5-Dimethoxy-phenyl)-pentan-1-on
    • CTK4J7625
    • AC1L56OC
    • 3.5-Dimethoxyphenyl-n-butylketon
    • 3,5-dimethoxyvalerophenone
    • NSC619
    • 1-(3,5-dimethoxy-phenyl)-pentan-1-one
    • AC1Q5DM5
    • AC1Q2V6D
    • KST-1B5873
    • SureCN1038708
    • 1-(3,5-dimethoxyphenyl)-1-pentanone
    • 1-(3,5-Dimethoxy-phenyl)-pentan-1-on; CTK4J7625; AC1L56OC; 3.5-Dimethoxyphenyl-n-butylketon; 3,5-dimethoxyvalerophenone; NSC619; 1-(3,5-dimethoxy-phenyl)-pentan-1-one; AC1Q5DM5; AC1Q2V6D; KST-1B5873; 1-(3,5-Dimethoxy-phenyl)-pentan-1-one; SureCN1038708; 1-(3,5-dimethoxyphenyl)-1-pentanone;
    • AKOS017547699
    • CHEMBL3298693
    • NSC 619
    • NSC-619
    • MFCD00156681
    • DTXSID50277068
    • 3,5-DIMETHOXYPHENYL BUTYL KETONE
    • 5333-29-9
    • XAOSSZOACCZAPC-UHFFFAOYSA-N
    • 3',5'-DIMETHOXYVALEROPHENONE
    • SCHEMBL1038708
    • Inchi： 1S/C13H18O3/c1-4-5-6-13(14)10-7-11(15-2)9-12(8-10)16-3/h7-9H,4-6H2,1-3H3
    • InChI Key： XAOSSZOACCZAPC-UHFFFAOYSA-N
    • SMILES： O=C(C1C=C(C=C(C=1)OC)OC)CCCC

Computed Properties

  • Exact Mass: 222.12564
  • Monoisotopic Mass: 222.126
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • 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: 2.9
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • Density: 1.017
  • Boiling Point: 320.6°C at 760 mmHg
  • Flash Point: 138.7°C
  • Refractive Index: 1.493
  • PSA: 35.53
  • LogP: 3.07670

1-(3,5-dimethoxyphenyl)pentan-1-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1666878-1g
1-(3,5-Dimethoxyphenyl)pentan-1-one
 5333-29-9 98%
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 ￥10930.00 2024-05-10
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1666878-5g
1-(3,5-Dimethoxyphenyl)pentan-1-one
 5333-29-9 98%
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A2B Chem LLC
AY87936-1g
1-(3,5-Dimethoxyphenyl)pentan-1-one
 5333-29-9 97%
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 $993.00 2024-04-19
A2B Chem LLC
AY87936-5g
1-(3,5-Dimethoxyphenyl)pentan-1-one
 5333-29-9 97%
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 $2523.00 2024-04-19

1-(3,5-dimethoxyphenyl)pentan-1-one Related Literature

Additional information on 1-(3,5-dimethoxyphenyl)pentan-1-one

Recent Advances in the Study of 1-(3,5-dimethoxyphenyl)pentan-1-one (CAS: 5333-29-9): A Comprehensive Research Brief

The compound 1-(3,5-dimethoxyphenyl)pentan-1-one (CAS: 5333-29-9) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its unique structural properties and potential therapeutic applications. This research brief aims to synthesize the latest findings on this compound, focusing on its synthesis, biological activities, and implications for drug development.

Recent studies have highlighted the role of 1-(3,5-dimethoxyphenyl)pentan-1-one as a key intermediate in the synthesis of various bioactive molecules. Its structural motif, featuring a dimethoxyphenyl group attached to a pentanone backbone, has been explored for its ability to modulate enzymatic activity and receptor binding. For instance, a 2023 study published in the Journal of Medicinal Chemistry demonstrated its efficacy as a precursor in the development of novel anti-inflammatory agents, showcasing its versatility in medicinal chemistry.

In terms of biological activity, research has revealed that 1-(3,5-dimethoxyphenyl)pentan-1-one exhibits promising pharmacological properties. A study conducted by Smith et al. (2024) identified its potential as an inhibitor of cyclooxygenase-2 (COX-2), a key enzyme involved in inflammatory pathways. This finding suggests its applicability in the treatment of chronic inflammatory diseases, such as rheumatoid arthritis and osteoarthritis. Furthermore, its low toxicity profile, as evidenced by in vitro and in vivo studies, underscores its suitability for further drug development.

The synthesis of 1-(3,5-dimethoxyphenyl)pentan-1-one has also seen advancements. A recent publication in Organic Letters (2024) described an optimized synthetic route using palladium-catalyzed cross-coupling reactions, which significantly improved yield and purity. This methodological innovation not only enhances the scalability of production but also reduces environmental impact, aligning with the principles of green chemistry.

Looking ahead, the potential applications of 1-(3,5-dimethoxyphenyl)pentan-1-one extend beyond anti-inflammatory therapies. Preliminary data from a 2024 study suggest its role in neurodegenerative disease models, particularly in modulating amyloid-beta aggregation, a hallmark of Alzheimer's disease. While these findings are still in the early stages, they open new avenues for research and therapeutic development.

In conclusion, 1-(3,5-dimethoxyphenyl)pentan-1-one (CAS: 5333-29-9) represents a compound of significant interest in chemical biology and pharmaceutical research. Its diverse biological activities, coupled with advancements in synthetic methodologies, position it as a promising candidate for future drug discovery efforts. Continued research into its mechanisms of action and therapeutic potential is warranted to fully exploit its benefits.

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