6299-85-0 | Methyl 2,4-dichloropyrimidine-6-carboxylate

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$5.00	$4.00
1g	98%	in stock	$10.00	$7.00
5g	98%	in stock	$14.00	$10.00
10g	98%	in stock	$17.00	$12.00
25g	98%	in stock	$38.00	$27.00

Description

• Catalog Number: AG66603
• Chemical Name: Methyl 2,4-dichloropyrimidine-6-carboxylate
• CAS Number: 6299-85-0
• Molecular Formula: C6H4Cl2N2O2
• Molecular Weight: 207.01416
• MDL Number: MFCD01941317
• SMILES: COC(=O)c1cc(Cl)nc(n1)Cl
• NSC Number: 45044

Computed Properties

• Complexity: 179
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• XLogP3: 2.3

Upstream Synthesis Route

To synthesize Methyl 2,4-dichloropyrimidine-6-carboxylate, one can follow these steps:

1. Starting with diethyl malonate, perform an alkylation using 2,4-dichloro-6-methylpyrimidine as the alkylating agent under basic conditions, typically using a strong base like sodium ethoxide.

2. After alkylation, perform an acidic hydrolysis to convert the diethyl malonate into the corresponding monoester carboxylic acid.

3. Activate the carboxylic acid by converting it to its corresponding acyl chloride using thionyl chloride (SOCl2) under reflux.

4. Finally, undergo esterification of the acyl chloride with methanol, in the presence of a catalytic amount of a base such as triethylamine, to yield Methyl 2,4-dichloropyrimidine-6-carboxylate.