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CS-W001157 4
Total: USD 88.00

4-Acetylbenzaldehyde

  • CAS No. 3457-45-2

  • Cat. No. CS-W023080
  • Purity≥97%
  • MDL No.MFCD02093689

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

4-Acetylbenzaldehyde|CS-W023080

Structure of 3457-45-2

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General Information

  • CAS No. 3457-45-2
  • Cat. No. CS-W023080
  • Purity ≥97%
  • MDL No. MFCD02093689
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈O₂
  • Molecular Weight 148.16
  • Synonym(s) benzaldehyde, 4-acetyl-
  • SMILES O=CC1=CC=C(C(C)=O)C=C1

Description

4-Acetylbenzaldehyde features a para-substituted benzaldehyde scaffold bearing both aldehyde and acetyl functional groups, enabling direct integration into condensation and coupling reactions. This electron-deficient aromatic system supports efficient derivatization in synthetic organic chemistry workflows under standard conditions.

Application

4-Acetylbenzaldehyde serves as a versatile building block in synthetic organic chemistry, enabling efficient access to conjugated enone systems and functionalized aromatic scaffolds. Its dual aldehyde and ketone functionalities offer orthogonal reactivity for sequential transformations, including aldol condensations, Wittig reactions, and nucleophilic additions. The compound exhibits good bench stability and is readily purified by recrystallization, facilitating integration into multi-step syntheses of pharmaceutical intermediates and specialty materials.

Synthesis

  • Route1

    References

    • Journal of the American Chemical Society, , vol. 127, # 2 p. 751 - 760
  • Route2

    References

    • Journal of the American Chemical Society, , vol. 127, # 2 p. 751 - 760
  • Route3

    References

    • Organic Process Research and Development, , vol. 11, # 1 p. 39 - 43

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   1.7017
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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