265652-39-9 | 2-Thiophenecarboxylic acid, 4-bromo-3-methyl-

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$36.00	$25.00
1g	95%	in stock	$36.00	$26.00
5g	95%	in stock	$177.00	$124.00
100g	95%	in stock	$3,539.00	$2,478.00

Description

• Catalog Number: AB31616
• Chemical Name: 2-Thiophenecarboxylic acid, 4-bromo-3-methyl-
• CAS Number: 265652-39-9
• Molecular Formula: C6H5BrO2S
• Molecular Weight: 221.0717
• MDL Number: MFCD03789231
• SMILES: OC(=O)c1scc(c1C)Br

Upstream Synthesis Route

The upstream synthesis route of 4-bromo-3-methyl-2-thiophenecarboxylic acid can be described as follows:

1. Begin with 3-methylthiophene as the starting material due to the need to introduce a methyl group at the 3-position of the thiophene ring.

2. Perform bromination through electrophilic aromatic substitution to install a bromine atom at the 4-position, yielding 4-bromo-3-methylthiophene. This is typically achieved by using bromine (Br2) in the presence of a catalyst such as iron (Fe) or iron(III) bromide (FeBr3).

3. Next, we carry out a carboxylation reaction to introduce the carboxylic acid group at the 2-position of the thiophene ring. This can be accomplished by techniques such as the Gattermann–Koch reaction, which involves treatment with carbon monoxide (CO) and hydrochloric acid (HCl) in the presence of a Lewis acid catalyst like aluminum chloride (AlCl3), or more modern methods involve the use of CO gas in the presence of palladium catalysts and additional reagents to promote carbonylation.

4. Finally, purification steps such as recrystallization or column chromatography would be used to obtain the pure product, 4-bromo-3-methyl-2-thiophenecarboxylic acid.

Each step may include the need for controls such as temperature regulation, solvent choices, and reaction time adjustments, as well as subsequent workup procedures including extractions, washes, and drying to isolate and purify intermediates and the final product.