138786-65-9 | Methyl 2-(bromomethyl)-5-fluorobenzoate

Packsize	Purity	Availability	Price	Discounted Price
100mg	95%	in stock	$42.00	$30.00
250mg	95%	in stock	$70.00	$49.00
1g	95%	in stock	$169.00	$119.00
5g	97%	in stock	$667.00	$467.00
10g	97%	in stock	$1,132.00	$793.00
25g	97%	in stock	$2,004.00	$1,403.00

Description

• Catalog Number: AA58843
• Chemical Name: Methyl 2-(bromomethyl)-5-fluorobenzoate
• CAS Number: 138786-65-9
• Molecular Formula: C9H8BrFO2
• Molecular Weight: 247.0610
• MDL Number: MFCD04114323
• SMILES: COC(=O)c1cc(F)ccc1CBr

Computed Properties

• Complexity: 187
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• XLogP3: 2.4

Upstream Synthesis Route

Methyl 2-(bromomethyl)-5-fluorobenzoate is a versatile compound widely used in chemical synthesis for its unique reactivity and functionality. This compound serves as a valuable building block in organic synthesis, particularly in the preparation of various pharmaceuticals, agrochemicals, and fine chemicals.One of the key applications of Methyl 2-(bromomethyl)-5-fluorobenzoate is as a key intermediate in the synthesis of complex organic molecules. Its bromine and fluorine substituents confer distinctive properties that enable selective functionalization and facilitate the formation of diverse chemical bonds. This compound can undergo various chemical reactions, such as nucleophilic substitution, palladium-catalyzed cross-coupling, and esterification, leading to the synthesis of structurally intricate compounds.Moreover, Methyl 2-(bromomethyl)-5-fluorobenzoate is frequently employed in medicinal chemistry for the preparation of drug candidates and pharmacologically active compounds. Its fluorine atom can enhance pharmacokinetic properties, while the bromomethyl group can facilitate bioisosteric replacement and improve target specificity. By incorporating this compound into drug design, researchers can modulate the physicochemical and biological characteristics of potential therapeutic agents.Overall, Methyl 2-(bromomethyl)-5-fluorobenzoate plays a crucial role in advancing synthetic chemistry by enabling the creation of novel molecules with tailored properties and biological activities. Its utility extends across a wide range of industries, including pharmaceuticals, agrochemicals, and materials science, where precise control over molecular structures is essential for achieving desired functionalities.