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CS-W001157 4
Total: USD 88.00

3-Cyanopropanoic acid

  • CAS No. 16051-87-9

  • Cat. No. CS-W018565
  • Molecule weight99.09
  • Purity≥98%
  • MDL No.MFCD00233974

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

3-Cyanopropanoic acid|CS-W018565

Structure of 16051-87-9

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General Information

  • CAS No. 16051-87-9
  • Cat. No. CS-W018565
  • Purity ≥98%
  • MDL No. MFCD00233974
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₅NO₂
  • Molecular Weight 99.09
  • Synonym(s) None
  • SMILES N#CCCC(=O)O

Description

3-Cyanopropanoic acid features a conjugated cyano-carboxylic acid motif, enabling direct incorporation into synthetic pathways requiring electron-withdrawing functionality. The molecule exhibits enhanced stability under standard conditions and facilitates efficient derivatization for bioconjugation or polymer integration.

Application

3-Cyanopropanoic acid serves as a versatile building block in synthetic organic chemistry, enabling efficient access to γ-cyano carboxylic acid derivatives. Its dual functionality—carboxylic acid and nitrile groups—facilitates selective transformations such as nucleophilic additions, cyclizations, and amidation reactions. The molecule exhibits good bench stability and compatibility with common protecting group strategies, making it well-suited for multistep synthesis of heterocyclic scaffolds and bioactive molecules.

Synthesis

  • Route1
    • null|null
      110-61-2
    • ~10%
    • In-stock
      3-Cyanopropanoic acid|CS-W018565
      16051-87-9

    References

    • Mukherjee, Chandrani; Zhu, Dunming; Biehl, Edward R.; Hua, Ling European Journal of Organic Chemistry, 2006 , # 23 p. 5238 - 5242
  • Route2
    • null|null
      3515-93-3
    • ~74%
    • In-stock
      3-Cyanopropanoic acid|CS-W018565
      16051-87-9

    References

    • Blanshtein, I. B.; Del'nik, V. B.; Katsnel'son, M. G. J. Appl. Chem. USSR (Engl. Transl.), 1981 , vol. 54, # 2 p. 469 - 470,359 - 360
  • Route3
    • null|null
      590-92-1
    • null|null
      773837-37-9
    • ~54%
    • In-stock
      3-Cyanopropanoic acid|CS-W018565
      16051-87-9

    References

    • Nguyen-Trung, Anh Thu; Tritsch, Denis; Grosdemange-Billiard, Catherine; Rohmer, Michel Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 6 p. 1643 - 1647

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   61.09
  • LogP   0.37478
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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