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CS-W001157 4
Total: USD 88.00

3-Amino-4-fluorobenzoic acid

  • CAS No. 2365-85-7

  • Cat. No. CS-W016253
  • Purity≥98%
  • MDL No.MFCD00130055

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

3-Amino-4-fluorobenzoic acid|CS-W016253

Structure of 2365-85-7

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General Information

  • CAS No. 2365-85-7
  • Cat. No. CS-W016253
  • Purity ≥98%
  • MDL No. MFCD00130055
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆FNO₂
  • Molecular Weight 155.13
  • Synonym(s) 3-Amino-4-fluoro-benzoic acid
  • SMILES O=C(O)C1=CC=C(F)C(N)=C1

Description

3-Amino-4-fluorobenzoic acid features a strategically positioned amino group flanked by fluorine and carboxylic acid functionalities, enabling direct incorporation into bioactive scaffolds. This electron-rich aromatic core facilitates conjugation in medicinal chemistry applications, offering enhanced solubility and metabolic stability under standard conditions.

Application

3-Amino-4-fluorobenzoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of fluorinated aromatic scaffolds via standard amine and carboxylic acid transformations. Its ortho-fluoroamine functionality supports palladium-catalyzed couplings and facilitates site-specific derivatization. The compound exhibits good bench stability and is compatible with common protecting group strategies, simplifying purification and downstream functionalization in API development workflows.

Synthesis

  • Route1

    References

    • Borzilleri, Robert M.; Bhide, Rajeev S.; Tokarski, John S.; Zheng, Peter; Qian, Ligang; Cai, Zhen-Wei Patent: US2004/77696 A1, 2004 ; Location in patent: Page/Page column 11 ; US 20040077696 A1

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   63.32
  • LogP   1.1061
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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