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CS-W001157 4
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Methyl2-(4-isobutylphenyl)propanoate

  • CAS No. 61566-34-5

  • Cat. No. CS-0154243
  • Purity≥97%
  • MDL No.MFCD00869922

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

Methyl2-(4-isobutylphenyl)propanoate|CS-0154243

Structure of 61566-34-5

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General Information

  • CAS No. 61566-34-5
  • Cat. No. CS-0154243
  • Purity ≥97%
  • MDL No. MFCD00869922
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₂₀O₂
  • Molecular Weight 220.31
  • Synonym(s) Methyl 2-(4-isobutylphenyl)propanoate
  • SMILES CC(C)CC1=CC=C(C=C1)C(C)C(=O)OC

Description

2-Methoxy-4-propylphenol is a volatile phenolic flavor compound identified in Bordeaux wines, liquid smoke, karanda fruit{9 5} and oregano.Potential applications include the profile enhancement of smoke flavors, clove, spicy nuances for cinnamon and pepper, vanilla, and fruit nuances.

Application

Methyl 2-(4-isobutylphenyl)propanoate serves as a versatile building block in medicinal chemistry, enabling the synthesis of arylpropionic acid derivatives through standard ester hydrolysis and functionalization. Its isobutyl-substituted aromatic ring provides steric and electronic modulation, enhancing metabolic stability. The molecule exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthetic workflows and API precursor development.

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      Ibuprofen|CS-1931
      15687-27-1
    • ~99%
    • In-stock
      Methyl2-(4-isobutylphenyl)propanoate|CS-0154243
      61566-34-5

    References

    • Chavez-Flores, David; Salvador, James M. Tetrahedron Asymmetry, 2012 , vol. 23, # 3-4 p. 237 - 239
  • Route2
    • null|null
      67-56-1
    • null|null
      201230-82-2
    • 1-Ethenyl-4-(2-methylpropyl)benzene|CS-0238301
      63444-56-4
    • ~70%
    • In-stock
      Methyl2-(4-isobutylphenyl)propanoate|CS-0154243
      61566-34-5

    References

    • Lee, Chul Woo; Alper, Howard Journal of Organic Chemistry, 1995 , vol. 60, # 1 p. 250 - 252
  • Route3
    • null|null
      83022-32-6
    • null|null
      108-18-9
    • ~81%
    • In-stock
      Methyl2-(4-isobutylphenyl)propanoate|CS-0154243
      61566-34-5

    References

    • Kyowa Hakko Kogyo Co. Ltd. Patent: US4649213 A1, 1987 ;

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-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P304+P340-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   3.1616
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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