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Structure of 886732-29-2
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Methyl 3-cyano-5-fluorobenzoate features a strategically positioned cyano group and fluorine atom on the aromatic ring, delivering enhanced electron-withdrawing character and improved metabolic stability. This combination enables efficient coupling in transition-metal-catalyzed reactions, particularly in palladium-mediated cross-couplings. The ester functionality provides solubility in common organic solvents and facilitates downstream derivatization. The molecule exhibits excellent bench stability under standard conditions.
Methyl 3-cyano-5-fluorobenzoate serves as a versatile building block in medicinal chemistry, enabling efficient access to fluorinated heterocycles and bioactive scaffolds. Its orthogonal functionality—cyano, fluoro, and ester groups—permits selective transformations under standard conditions. The compound exhibits excellent bench stability, facilitates straightforward purification, and participates reliably in palladium-catalyzed couplings, nucleophilic substitutions, and cyclization reactions, making it a practical choice for iterative synthesis workflows.
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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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Lot numbers can be found on the outside label of a product: