Lot numbers can be found on the outside label of a product:
2-Amino-4,5-difluorobenzoic acid
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CAS No. 83506-93-8
- Cat. No. CS-W002329
- Purity≥98%
- MDL No.MFCD00077509
*For research and further manufacturing use only, not for direct human use.
Structure of 83506-93-8
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General Information
- CAS No. 83506-93-8
- Cat. No. CS-W002329
- Purity ≥98%
- MDL No. MFCD00077509
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₅F₂NO₂
- Molecular Weight None
- Synonym(s) 4,5-Difluoroanthranilic Acid
- SMILES FC1=CC(C(O)=O)=C(N)C=C1F
Description
2-Amino-4,5-difluorobenzoic acid features a strategically positioned amino group flanked by two fluorine substituents, delivering enhanced electron-withdrawing effects and improved metabolic stability. This combination enables direct incorporation into bioactive scaffolds, particularly in pharmaceutical intermediates where orthogonal reactivity and solubility are critical.
Application
2-Amino-4,5-difluorobenzoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of fluorinated heterocycles and bioactive scaffolds. Its dual functionality—amine and carboxylic acid—facilitates diverse coupling reactions, including amide formation and cyclization pathways. The difluoro substitution enhances metabolic stability and modulates electronic properties, while the compound exhibits good bench stability and ease of purification, making it well-suited for iterative synthesis workflows in API development.
Synthesis
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Route1
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In-stock
20372-63-8 - ~99%
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In-stock
83506-93-8
References
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WO2003/106435 A1, ; Page 290; 291; 332 ; WO 03/106435 A1
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Route2
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In-stock
18959-31-4 -
98-59-9 - ~85%
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In-stock
83506-93-8
References
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US5436368 A1, ;
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Route3
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In-stock
18959-30-3 - ~%
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In-stock
83506-93-8
References
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Synthetic Communications, , vol. 22, # 21 p. 3067 - 3074
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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 : H315-H319-H335
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Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-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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Other Classifications
- Chemical Biology Pharmaceutical Development and Drug Discovery Research Reagents Peptide Chemistry Unnatural Amino Acid Derivatives
- Chemical Biology Pharmaceutical Development and Drug Discovery Research Peptide Chemistry Amino Acid Derivatives
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Key Words
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