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CS-W001157 4
Total: USD 88.00

3-Ethylpentanoic acid

  • CAS No. 58888-87-2

  • Cat. No. CS-0230788
  • Molecule weight130.18
  • Purity≥97%
  • MDL No.MFCD01709232

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

3-Ethylpentanoic acid|CS-0230788

Structure of 58888-87-2

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General Information

  • CAS No. 58888-87-2
  • Cat. No. CS-0230788
  • Purity ≥97%
  • MDL No. MFCD01709232
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₄O₂
  • Molecular Weight 130.18
  • Synonym(s) 3-ethyl-pentanoicaci
  • SMILES O=C(O)CC(CC)CC

Description

3-Ethylpentanoic acid is a branched-chain carboxylic acid featuring a sterically hindered alkyl substitution pattern. This structural motif enhances its metabolic stability and lipophilicity, making it valuable for synthesizing bioactive molecules and functionalized intermediates in medicinal chemistry and polymer science.

Application

3-Ethylpentanoic acid serves as a versatile building block in synthetic organic chemistry, enabling the construction of biologically relevant alkylated carboxylic acid scaffolds. Its well-defined structure supports functional group tolerance in standard transformations, including esterification, amidation, and decarboxylation. The molecule exhibits bench stability and facilitates straightforward purification, making it suitable for use in medicinal chemistry campaigns and process development workflows requiring robust, predictable reactivity.

Synthesis

  • Route1

    References

    • Wyeth Patent: US2003/144531 A1, 2003 ;
  • Route2
    • null|null
      124-38-9
    • In-stock
      1-Bromo-2-ethylbutane|CS-0132321
      3814-34-4
    • ~99%
    • In-stock
      3-Ethylpentanoic acid|CS-0230788
      58888-87-2

    References

    • Mayer, Scott C.; Kreft, Anthony F.; Harrison, Boyd; Abou-Gharbia, Magid; Antane, Madelene; Aschmies, Suzan; Atchison, Kevin; Chlenov, Michael; Cole, Derek C.; Comery, Thomas; Diamantidis, George; Ellingboe, John; Fan, Kristi; Galante, Rocco; Gonzales, Cathleen; Ho, Douglas M.; Hoke, Molly E.; Hu, Yun; Huryn, Donna; Jain, Uday; Jin, Mei; Kremer, Kenneth; Kubrak, Dennis; Lin, Melissa; Lu, Peimin; Magolda, Ron; Martone, Robert; Moore, William; Oganesian, Aram; Pangalos, Menelas N.; Porte, Alex; Reinhart, Peter; Resnick, Lynn; Riddell, David R.; Sonnenberg-Reines, June; Stock, Joseph R.; Sun, Shaiu-Ching; Wagner, Erik; Wang, Ting; Woller, Kevin; Xu, Zheng; Zaleska, Margaret M.; Zeldis, Joseph; Zhang, Minsheng; Zhou, Hua; Jacobsen, J. Steven Journal of Medicinal Chemistry, 2008 , vol. 51, # 23 p. 7348 - 7351
  • Route3
    • null|null
      82670-80-2
    • ~99%
    • In-stock
      3-Ethylpentanoic acid|CS-0230788
      58888-87-2

    References

    • Degenhardt, Charles R. Synthetic Communications, 1982 , vol. 12, # 6 p. 415 - 422

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3265
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314-H335
Precautionary Statements : P260-P261-P264-P271-P280-P301+P330+P331-P304+P340-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.8973
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   4

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