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CS-W001157 4
Total: USD 88.00

5-Phenyl-n-valeric acid methyl ester

  • CAS No. 20620-59-1

  • Cat. No. CS-0213167
  • Purity≥98%
  • MDL No.MFCD00025896

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

5-Phenyl-n-valeric acid methyl ester|CS-0213167

Structure of 20620-59-1

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General Information

  • CAS No. 20620-59-1
  • Cat. No. CS-0213167
  • Purity ≥98%
  • MDL No. MFCD00025896
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆O₂
  • Molecular Weight 192.25
  • Synonym(s) Methyl 5-phenylvalerate
  • SMILES COC(=O)CCCCC1=CC=CC=C1

Description

5-Phenyl-n-valeric acid methyl ester features a linear aliphatic chain terminating in a phenyl-substituted carbonyl group, delivering enhanced solubility and stability under standard conditions. This structural motif enables efficient integration into synthetic routes targeting bioactive compounds and functional polymers.

Application

5-Phenyl-n-valeric acid methyl ester serves as a versatile building block for synthesizing bioactive heterocycles and pharmaceutical intermediates. Its benzylic ester functionality enables straightforward hydrolysis, reduction, or coupling reactions, while the phenyl-substituted aliphatic chain offers predictable reactivity in standard organic transformations. The compound exhibits good bench stability and facilitates efficient purification, making it well-suited for iterative synthesis workflows in medicinal chemistry and process development.

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      5-Phenylvaleric acid|CS-0076939
      2270-20-4
    • ~93%
    • In-stock
      5-Phenyl-n-valeric acid methyl ester|CS-0213167
      20620-59-1

    References

    • Estevez, M.-Carmen; Galve, Roger; Sanchez-Baeza, Francisco; Marco, M.-Pilar Chemistry - A European Journal, 2008 , vol. 14, # 6 p. 1906 - 1917
  • Route2
    • null|null
      38447-05-1
    • ~94%
    • In-stock
      5-Phenyl-n-valeric acid methyl ester|CS-0213167
      20620-59-1

    References

    • Mandal, Pijus K.; McMurray, John S. Journal of Organic Chemistry, 2007 , vol. 72, # 17 p. 6599 - 6601
  • Route3
    • null|null
      17376-04-4
    • null|null
      292638-85-8
    • ~86%
    • In-stock
      5-Phenyl-n-valeric acid methyl ester|CS-0213167
      20620-59-1

    References

    • Shukla, Paritosh; Hsu, Yun-Chu; Cheng, Chien-Hong Journal of Organic Chemistry, 2006 , vol. 71, # 2 p. 655 - 658

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

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.5724
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   5

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