Lot numbers can be found on the outside label of a product:
2-Amino-4,6-difluorobenzoic acid
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CAS No. 126674-77-9
- Cat. No. CS-W003091
- Purity≥96%
- MDL No.MFCD03618449
*For research and further manufacturing use only, not for direct human use.
Structure of 126674-77-9
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General Information
- CAS No. 126674-77-9
- Cat. No. CS-W003091
- Purity ≥96%
- MDL No. MFCD03618449
- Storage RT, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₅F₂NO₂
- Molecular Weight 173.12
- Synonym(s) 2-Carboxy-3,5-difluoroaniline, 4,6-Difluoroanthranilic acid
- SMILES Fc1cc(N)c(c(c1)F)C(=O)O
Description
2-Amino-4,6-difluorobenzoic acid features a strategically positioned amino group flanked by two fluorine atoms, delivering enhanced electron-withdrawing effects and improved metabolic stability. This combination enables direct incorporation into bioactive scaffolds, particularly in kinase inhibitor development and medicinal chemistry campaigns requiring high binding affinity and solubility under physiological conditions.
Application
2-Amino-4,6-difluorobenzoic acid serves as a versatile building block in medicinal chemistry, enabling direct incorporation into bioactive scaffolds via amide coupling or Ullmann-type transformations. The ortho-amino and meta-fluoro substituents provide orthogonal reactivity for late-stage functionalization, while the carboxylic acid group facilitates conjugation to peptide or heterocyclic systems. Bench-stable and compatible with standard purification protocols, it functions reliably in multi-step syntheses targeting kinase inhibitors and CNS-targeted therapeutics.
Synthesis
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Route1
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In-stock
126674-93-9 - ~86%
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In-stock
126674-77-9
References
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Gruenenthal GmbH Patent: US2008/293749 A1, 2008 ; Location in patent: Page/Page column 14 ;
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Route2
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940054-61-5 - ~84%
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In-stock
126674-77-9
References
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JANSSEN PHARMACEUTICA NV; MEERPOEL, Lieven; MAES, Louis, Jules, Roger, Marie; DE WIT, Kelly Patent: WO2012/69380 A1, 2012 ; Location in patent: Page/Page column 43 ;
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Route3
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In-stock
190011-84-8 - ~%
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In-stock
126674-77-9
References
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WO2006/64217 A2, ; Page/Page column 52-53 ; WO 2006/064217 A2
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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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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Quality Control
Computational Chemistry Data
- TPSA 63.32
- LogP 1.2452
- H_Acceptors 2
- H_Donors 2
- Rotatable_Bonds 1
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Key Words
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