570-02-5 | 2,4,6-Trimethoxybenzoic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$34.00	$24.00
5g	98%	in stock	$66.00	$47.00
10g	98%	in stock	$106.00	$75.00
25g	98%	in stock	$227.00	$159.00

Description

• Catalog Number: AB60052
• Chemical Name: 2,4,6-Trimethoxybenzoic acid
• CAS Number: 570-02-5
• Molecular Formula: C10H12O5
• Molecular Weight: 212.1993
• MDL Number: MFCD00016497
• SMILES: COc1cc(OC)cc(c1C(=O)O)OC

Upstream Synthesis Route

The upstream synthesis route for 2,4,6-Trimethoxybenzoic acid typically involves the following steps:

1. **Starting Material**: The synthesis commences with a substrate that can be easily converted to the trimethoxybenzene core. Anisole (methoxybenzene) is a suitable starting material.

2. **Methylation**: Via Friedel-Crafts alkylation, anisole is subjected to methylation using methyl chloride (or dimethyl sulfate) in the presence of a Lewis acid catalyst, such as aluminum chloride (AlCl3), to introduce additional methoxy (–OCH3) groups onto the benzene ring.

3. **Protection of Methoxy Groups**: The methoxy groups may be protected by conversion to methoxymethyl ethers to safeguard them from the subsequent carboxylation step.

4. **Carboxylation**: The introduction of the carboxylic acid group can be achieved through various routes. One common method is through the Gattermann-Koch reaction, which involves the introduction of the formyl group by reaction with carbon monoxide and hydrochloric acid, in the presence of a Lewis acid catalyst like AlCl3. The formyl group is then oxidized to the carboxylic acid group using an oxidizing agent such as manganese dioxide (MnO2) or nitric acid (HNO3).

5. **Deprotection**: If protection of methoxy groups was performed, they are deprotected back to methoxy groups using acidic or basic conditions depending on the protecting groups used.

6. **Purification**: The product is purified by standard techniques such as recrystallization or column chromatography to achieve the desired purity of 2,4,6-Trimethoxybenzoic acid.

It should be noted that each of these steps will require optimization in terms of reagents, temperature, and reaction time, to ensure maximum yield and purity of the final product. Additionally, all chemical handling should be performed with appropriate safety protocols and waste disposal regulations in mind.