78471-43-9 | Methyl 4-bromo-2-(bromomethyl)benzoate

Packsize	Purity	Availability	Price	Discounted Price
250mg	97%	in stock	$6.00	$4.00
1g	≥97%	in stock	$15.00	$10.00
5g	≥97%	in stock	$16.00	$11.00
10g	98%	in stock	$21.00	$15.00
15g	98%	in stock	$31.00	$22.00
25g	98%	in stock	$48.00	$34.00
50g	98%	in stock	$94.00	$66.00
100g	98%	in stock	$187.00	$131.00
250g	98%	in stock	$464.00	$325.00
500g	98%	in stock	$927.00	$649.00

Description

• Catalog Number: AE02347
• Chemical Name: Methyl 4-bromo-2-(bromomethyl)benzoate
• CAS Number: 78471-43-9
• Molecular Formula: C9H8Br2O2
• Molecular Weight: 307.9666
• MDL Number: MFCD04114319
• SMILES: COC(=O)c1ccc(cc1CBr)Br

Computed Properties

• Complexity: 185
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• XLogP3: 3

Upstream Synthesis Route

To synthesize Methyl 4-bromo-2-(bromomethyl)benzoate, begin with 4-methylbenzoic acid as the starting material.

1. Esterification: React 4-methylbenzoic acid with methanol using sulfuric acid as a catalyst to form Methyl 4-methylbenzoate.

2. Bromination: Subject Methyl 4-methylbenzoate to bromination using bromine in the presence of iron(III) bromide (FeBr3) as a Lewis acid catalyst to yield Methyl 4-bromo-2-methylbenzoate.

3. Radical Bromination: Introduce a bromomethyl group at the 2-position by treating Methyl 4-bromo-2-methylbenzoate with N-bromosuccinimide (NBS) and benzoyl peroxide as a radical initiator in a suitable solvent like carbon tetrachloride. This step should replace the methyl group with a bromomethyl group to yield the final product, Methyl 4-bromo-2-(bromomethyl)benzoate.