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CS-W001157 4
Total: USD 88.00

Angelic acid

  • CAS No. 565-63-9

  • Cat. No. CS-W009553
  • Molecule weight100.12
  • Purity≥98%
  • MDL No.MFCD00002654

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

Angelic acid|CS-W009553

Structure of 565-63-9

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General Information

  • CAS No. 565-63-9
  • Cat. No. CS-W009553
  • Purity ≥98%
  • MDL No. MFCD00002654
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₈O₂
  • Molecular Weight 100.12
  • Synonym(s) (Z)-2-Methylbut-2-enoic acid
  • SMILES C/C=C(C)\C(O)=O

Description

Angelica acid features a conjugated diene system and carboxylic acid functionality, enabling direct incorporation into synthetic scaffolds. This bench-stable, moisture-tolerant reagent streamlines access to bioactive analogs in natural product synthesis and medicinal chemistry workflows.

Application

Angelica acid serves as a versatile building block in synthetic organic chemistry, enabling efficient access to bioactive heterocycles and natural product analogs. Its conjugated enoic acid functionality facilitates Michael additions, Diels–Alder reactions, and metal-catalyzed transformations under mild conditions. The molecule exhibits excellent bench stability and compatibility with common protecting groups, simplifying purification and downstream functionalization in multi-step syntheses.

Synthesis

  • Route1
    • Angelic acid methyl ester|CS-0207690
      5953-76-4
    • ~90%
    • In-stock
      Angelic acid|CS-W009553
      565-63-9

    References

    • Nicolaou; Nevalainen, Marta; Zak, Mark; Bulat, Stephan; Bella, Marco; Safina, Brian S. Angewandte Chemie - International Edition, 2003 , vol. 42, # 29 p. 3418 - 3424
  • Route2
    • null|null
      3017-68-3
    • null|null
      18414-58-9
    • ~97%
    • In-stock
      Angelic acid|CS-W009553
      565-63-9

    References

    • Friis, Stig D.; Andersen, Thomas L.; Skrydstrup, Troels Organic Letters, 2013 , vol. 15, # 6 p. 1378 - 1381
  • Route3
    • null|null
      20068-02-4
    • ~0%
    • null|null
      5953-75-3
    • In-stock
      Angelic acid|CS-W009553
      565-63-9

    References

    • WO2004/101513 A2, ; Page 33-34 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H290-H314
Precautionary Statements : P234-P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.0372
  • H_Acceptors   1
  • H_Donors   H_Donors:
  • Rotatable_Bonds   Rotatable_Bonds:

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