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CS-W001157 4
Total: USD 88.00

4-Benzamidobutanoic acid

  • CAS No. 35340-63-7

  • Cat. No. CS-0149233
  • Purity≥96%
  • MDL No.MFCD00459545

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

4-Benzamidobutanoic acid|CS-0149233

Structure of 35340-63-7

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General Information

  • CAS No. 35340-63-7
  • Cat. No. CS-0149233
  • Purity ≥96%
  • MDL No. MFCD00459545
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃NO₃
  • Molecular Weight 207.23
  • Synonym(s) 4-(Benzoylamino)butyric acid
  • SMILES O=C(O)CCCNC(C1=CC=CC=C1)=O

Description

4-Benzamidobutanoic acid features a rigid aromatic amide linkage flanked by a flexible aliphatic chain, enabling precise spatial positioning in bioactive molecule design. This structural motif enhances target engagement in medicinal chemistry applications and offers improved metabolic stability compared to simpler analogs.

Application

4-Benzamidobutanoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and peptide-like scaffolds. Its amide and carboxylic acid functionalities offer orthogonal reactivity for coupling, derivatization, and macrocyclization. The molecule exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis campaigns in API development.

Synthesis

  • Route1
    • null|null
      98-88-4
    • γ-Aminobutyric acid Vigabatrin  Impurity|CS-0228792
      56-12-2
    • ~91%
    • In-stock
      4-Benzamidobutanoic acid|CS-0149233
      35340-63-7

    References

    • UNIVERSITY OF CONNECTICUT; BALUNAS, Marcy J.; PAVLIK, Christopher M.; GERWICK, William H. Patent: WO2014/18913 A2, 2014 ; Location in patent: Page/Page column 46 ;
  • Route2

    References

    • Ito, Rina; Umezawa, Naoki; Higuchi, Tsunehiko Journal of the American Chemical Society, 2005 , vol. 127, # 3 p. 834 - 835
  • Route3

    References

    • Kaname, Mamoru; Yoshifuji, Shigeyuki; Sashida, Haruki Tetrahedron Letters, 2008 , vol. 49, # 17 p. 2786 - 2788

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   66.4
  • LogP   1.2812
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   5

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