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CS-W001157 4
Total: USD 88.00

Anisylacetone

  • CAS No. 104-20-1

  • Cat. No. CS-0063594
  • Molecule weightNone
  • Purity≥98%
  • MDL No.MFCD00008791

*For research and further manufacturing use only, not for direct human use.

Anisylacetone|CS-0063594

Structure of 104-20-1

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General Information

  • CAS No. 104-20-1
  • Cat. No. CS-0063594
  • Purity ≥98%
  • MDL No. MFCD00008791
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄O₂
  • Molecular Weight None
  • Synonym(s) p-Methoxybenzylacetone
  • SMILES CC(CCC1=CC=C(C=C1)OC)=O

Description

Anisylacetone features a benzyl ether-linked acetyl group, offering enhanced solubility and stability in organic synthesis. This aromatic ketone integrates readily into complex molecular architectures, particularly in natural product analogs and pharmaceutical intermediates. The anisyl moiety provides favorable electronic effects and improved handling under standard bench conditions.

Application

Anisylacetone serves as a versatile building block in synthetic organic chemistry, enabling the construction of aromatic ketones and heterocyclic scaffolds through established transformations. Its anisyl group enhances solubility and stability, while the α,β-unsaturated ketone functionality facilitates Michael additions, aldol condensations, and conjugate reductions under standard reaction conditions. The compound exhibits excellent bench stability and is readily purified by distillation or chromatography, making it well-suited for use in medicinal chemistry and process development workflows.

Synthesis

  • Route1

    References

    • Shang, Jun-Yan; Li, Fei; Bai, Xing-Feng; Jiang, Jian-Xiong; Yang, Ke-Fang; Lai, Guo-Qiao; Xu, Li-Wen European Journal of Organic Chemistry, 2012 , # 14 p. 2809 - 2815
  • Route2
    • null|null
      3815-30-3
    • ~92%
    • In-stock
      Anisylacetone|CS-0063594
      104-20-1

    References

    • Pandey, Ganesh; Karthikeyan; Murugan Journal of Organic Chemistry, 1998 , vol. 63, # 9 p. 2867 - 2872
  • Route3
    • In-stock
      1-(P-Methoxyphenyl)-1-buten-3-one|CS-0161881
      943-88-4
    • ~53%
    • In-stock
      Anisylacetone|CS-0063594
      104-20-1
    • null|null
      100-66-3

    References

    • Advanced Synthesis and Catalysis, , vol. 349, # 11-12 p. 1949 - 1954

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P233-P260-P261-P264-P271-P280-P302+P352-P304+P340-P340-P362-P403-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.2168
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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