99548-54-6 | Methyl 3-bromo-2-methylbenzoate

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$5.00	$4.00
5g	98%	in stock	$6.00	$5.00
25g	98%	in stock	$25.00	$18.00
100g	98%	in stock	$87.00	$61.00
500g	98%	in stock	$429.00	$301.00

Description

• Catalog Number: AB75746
• Chemical Name: Methyl 3-bromo-2-methylbenzoate
• CAS Number: 99548-54-6
• Molecular Formula: C9H9BrO2
• Molecular Weight: 229.07055999999997
• MDL Number: MFCD09031772
• SMILES: Cc1c(cccc1Br)C(=O)OC

Computed Properties

• Complexity: 170
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• XLogP3: 2.8

Upstream Synthesis Route

Methyl 3-bromo-2-methylbenzoate is a versatile chemical compound widely used in organic synthesis. Its application in chemical reactions primarily revolves around its functional groups, specifically the bromine atom and the ester functional group.The presence of the bromine atom allows Methyl 3-bromo-2-methylbenzoate to participate in various substitution reactions, such as nucleophilic aromatic substitution (S​N​Ar) reactions. This reactivity makes it a valuable building block for the synthesis of complex organic molecules and pharmaceuticals.Additionally, the ester functional group in Methyl 3-bromo-2-methylbenzoate enables it to undergo processes like esterification, transesterification, and other transformations involving ester groups. This versatility expands its utility in creating ester derivatives and forming key intermediates in organic synthesis routes.Furthermore, the unique combination of the bromine atom and the ester group in Methyl 3-bromo-2-methylbenzoate offers the opportunity for selective manipulation of these moieties to access a diverse array of chemical structures with specific properties and functionalities. Its strategic placement in a molecule can influence the reactivity and selectivity of subsequent reactions, making it an essential component in the synthesis of new materials and bioactive compounds.