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CS-W001157 4
Total: USD 88.00

2-(5-Fluoro-2-nitrophenyl)acetic acid

  • CAS No. 29640-98-0

  • Cat. No. CS-W005783
  • Molecule weight199.14
  • Purity≥97%
  • MDL No.MFCD07787601

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

2-(5-Fluoro-2-nitrophenyl)acetic acid|CS-W005783

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General Information

  • CAS No. 29640-98-0
  • Cat. No. CS-W005783
  • Purity ≥97%
  • MDL No. MFCD07787601
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆FNO₄
  • Molecular Weight 199.14
  • Synonym(s) Benzeneacetic acid, 5-fluoro-2-nitro-
  • SMILES O=C(O)CC1=CC(F)=CC=C1[N+]([O-])=O

Description

This fluorinated nitroaryl acetic acid features a reactive carboxylic acid group flanked by electron-withdrawing substituents, enabling efficient coupling in peptide and pharmaceutical synthesis. The ortho-fluoro and para-nitro groups enhance electrophilicity and metabolic stability, while the bench-stable structure simplifies handling in multistep transformations.

Application

2-(5-Fluoro-2-nitrophenyl)acetic acid serves as a versatile building block for heterocyclic synthesis and medicinal chemistry campaigns. Its ortho-nitro group enables efficient cyclization reactions, while the fluoro substituent enhances metabolic stability and modulates electronic properties. The carboxylic acid functionality facilitates direct derivatization or salt formation, offering improved solubility and purification advantages in synthetic workflows.

Synthesis

  • Route1

    References

    • Zhu, Jieping; Beugelmans, Rene; Bourdet, Sebastien; Chastanet, Jacqueline; Roussi, George Journal of Organic Chemistry, 1995 , vol. 60, # 20 p. 6389 - 6396
  • Route2

    References

    • Journal of Organic Chemistry, , vol. 60, # 20 p. 6389 - 6396
  • Route3

    References

    • Zhu, Jieping; Beugelmans, Rene; Bourdet, Sebastien; Chastanet, Jacqueline; Roussi, George Journal of Organic Chemistry, 1995 , vol. 60, # 20 p. 6389 - 6396

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

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Computational Chemistry Data

  • TPSA   80.44
  • LogP   1.361
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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