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CS-W001157 4
Total: USD 88.00

trans-Isoferulic acid

  • CAS No. 25522-33-2

  • Cat. No. CS-0085513
  • Purity≥98%
  • MDL No.MFCD00004391

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

trans-Isoferulic acid|CS-0085513

Structure of 25522-33-2

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General Information

  • CAS No. 25522-33-2
  • Cat. No. CS-0085513
  • Purity ≥98%
  • MDL No. MFCD00004391
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₄
  • Molecular Weight 194.19
  • Synonym(s) trans-3-Hydroxy-4-methoxycinnamic acid
  • SMILES O=C(O)/C=C/C1=CC=C(OC)C(O)=C1

Description

trans-Isoferulic acid features a stable trans-configuration at the C=C bond, enhancing its thermal and oxidative robustness. This configuration imparts distinct electronic properties ideal for conjugated systems. The molecule bears a para-hydroxy cinnamate scaffold with a methyl-substituted aromatic ring, enabling predictable reactivity in coupling reactions. Its bench-stable nature simplifies handling under standard conditions.

Application

trans-Isoferulic acid serves as a valuable building block in the synthesis of bioactive heterocycles and pharmaceutical intermediates, leveraging its conjugated diene system and carboxylic acid functionality. Its bench-stable nature and compatibility with standard coupling reactions enable efficient derivatization for medicinal chemistry applications.

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 : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   66.76
  • LogP   1.4986
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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