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3-Allyl-β-resacetophenone

  • CAS No. 38987-00-7

  • Cat. No. CS-B0010
  • Molecule weight192.21
  • Purity≥95%
  • MDL No.MFCD00068618

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

3-Allyl-β-resacetophenone|CS-B0010

Structure of 38987-00-7

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General Information

  • CAS No. 38987-00-7
  • Cat. No. CS-B0010
  • Purity ≥95%
  • MDL No. MFCD00068618
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O₃
  • Molecular Weight 192.21
  • Synonym(s) 1-(3-Allyl-2,4-dihydroxyphenyl)ethanone
  • SMILES O=C(C)C1=C(O)C(CC=C)=C(O)C=C1

Description

3-Allyl-β-resacetophenone features a conjugated enone system paired with a terminal allyl group, enabling efficient participation in Diels-Alder and Pd-catalyzed coupling reactions. This electron-deficient alkene integrates readily into complex molecular architectures under mild conditions, offering high functional group tolerance and streamlined access to bioactive scaffolds.

Application

3-Allyl-β-resacetophenone serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of substituted aromatic systems through electrophilic and transition-metal-catalyzed transformations. Its conjugated enone framework and allyl group facilitate Diels-Alder cycloadditions and palladium-coupling reactions, while exhibiting good bench stability and compatibility with common protecting groups. This compound functions effectively in the synthesis of complex natural product analogs and pharmaceutically relevant scaffolds.

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   57.53
  • LogP   2.0289
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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