95652-77-0 | Methyl 2-chloro-6-methoxynicotinate

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$16.00	$12.00
5g	98%	in stock	$55.00	$39.00
10g	98%	in stock	$109.00	$77.00

Description

• Catalog Number: AI04177
• Chemical Name: Methyl 2-chloro-6-methoxynicotinate
• CAS Number: 95652-77-0
• Molecular Formula: C8H8ClNO3
• Molecular Weight: 201.607
• MDL Number: MFCD08275100
• SMILES: COc1ccc(c(n1)Cl)C(=O)OC

Computed Properties

• Complexity: 188
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• XLogP3: 2

Upstream Synthesis Route

To synthesize Methyl 2-chloro-6-methoxynicotinate, one can start with 2-Chloro-6-hydroxypyridine as the starting material.

1. Methylation of hydroxyl group: The hydroxyl group on 2-Chloro-6-hydroxypyridine is reacted with a methylating agent such as dimethyl sulfate or methyl iodide in the presence of a base like potassium carbonate to produce 2-Chloro-6-methoxypyridine.

2. Oxidation: The 2-Chloro-6-methoxypyridine is then subjected to an oxidation step to introduce the carboxylic acid functionality. This can be achieved by using an oxidizing agent like potassium permanganate in an alkaline medium, resulting in 2-Chloro-6-methoxypyridine-3-carboxylic acid.

3. Esterification: Finally, the carboxylic group of 2-Chloro-6-methoxypyridine-3-carboxylic acid is esterified using methanol in the presence of a dehydrating agent such as concentrated sulfuric acid or an acid catalyst such as hydrochloric acid, giving the desired Methyl 2-chloro-6-methoxynicotinate.

This synthesis route is a straightforward approach involving protection, functional group transformation, and esterification steps that are commonly used in organic chemistry.