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CS-W001157 4
Total: USD 88.00

3-(4-Chlorobenzoyl)propionic acid

  • CAS No. 3984-34-7

  • Cat. No. CS-0072389
  • Purity≥98%
  • MDL No.None

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

3-(4-Chlorobenzoyl)propionic acid|CS-0072389

Structure of 3984-34-7

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General Information

  • CAS No. 3984-34-7
  • Cat. No. CS-0072389
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉ClO₃
  • Molecular Weight 212.63
  • Synonym(s) 4-(4-Chlorophenyl)-4-oxobutanoic acid
  • SMILES O=C(O)CCC(C1=CC=C(Cl)C=C1)=O

Description

This 3-(4-chlorobenzoyl)propionic acid features a para-chlorinated benzoyl group linked to a propionic acid chain, enabling efficient integration into bioactive scaffolds. The electron-withdrawing chlorine enhances electrophilicity at the carbonyl, facilitating coupling reactions under standard conditions. This bench-stable derivative supports direct incorporation into pharmaceutical intermediates and functional materials.

Application

3-(4-Chlorobenzoyl)propionic acid serves as a versatile building block for the synthesis of biologically active compounds and pharmaceutical intermediates. Its structure features a benzoic acid moiety linked via a propionic acid chain, enabling facile derivatization through esterification, amide formation, or decarboxylation. The 4-chloro substituent enhances electrophilic reactivity and contributes to metabolic stability, making it suitable for use in medicinal chemistry campaigns targeting CNS agents and kinase inhibitors.

Synthesis

  • Route1

    References

    • Mori, Akinori; Mizusaki, Tomoteru; Miyakawa, Yumi; Ohashi, Eri; Haga, Tomoko; Maegawa, Tomohiro; Monguchi, Yasunari; Sajiki, Hironao Tetrahedron, 2006 , vol. 62, # 51 p. 11925 - 11932
  • Route2
    • In-stock
      Succinic anhydride|CS-0011581
      108-30-5
    • null|null
      108-90-7
    • ~72%
    • In-stock
      3-(4-Chlorobenzoyl)propionic acid|CS-0072389
      3984-34-7

    References

    • Mogilaiah; Reddy, N. Vasudeva; Reddy, G. Randheer Synthetic Communications, 2003 , vol. 33, # 18 p. 3109 - 3113
  • Route3
    • null|null
      292638-85-8
    • 2-(4-Chlorophenyl)-2-morpholinoacetonitrile|CS-0451230
      33599-26-7
    • ~82%
    • In-stock
      3-(4-Chlorobenzoyl)propionic acid|CS-0072389
      3984-34-7

    References

    • Pawar; Waghmare; Lokhande Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2006 , vol. 45, # 11 p. 2549 - 2551

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
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   54.37
  • LogP   2.3875
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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