118994-89-1 | Ethyl Oxazole-5-carboxylate

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$5.00	$4.00
5g	98%	in stock	$13.00	$10.00
10g	98%	in stock	$20.00	$14.00
25g	98%	in stock	$49.00	$35.00

Description

• Catalog Number: AB74052
• Chemical Name: Ethyl Oxazole-5-carboxylate
• CAS Number: 118994-89-1
• Molecular Formula: C6H7NO3
• Molecular Weight: 141.1247
• MDL Number: MFCD04114930
• SMILES: CCOC(=O)c1cnco1

Computed Properties

• Complexity: 126
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• XLogP3: 0.9

Upstream Synthesis Route

The upstream synthesis of Ethyl Oxazole-5-carboxylate typically involves the following steps:

1. Condensation Reaction: Start with diethyl oxalate and an appropriate amine, such as 2-aminoethanol, to form the corresponding imidate via a condensation reaction.

2. Cyclization: The imidate formed undergoes cyclization under acidic conditions to yield the oxazole ring. During this stage, acidic catalysts like hydrochloric acid or sulfuric acid can be used to promote cyclization.

3. Esterification: Once the oxazole ring is formed, ethyl chloroformate is used to esterify the carboxylic acid at the 5-position of the oxazole ring, producing Ethyl Oxazole-5-carboxylate.

4. Purification: The final step involves purifying the product through techniques like recrystallization or column chromatography to achieve the desired purity of Ethyl Oxazole-5-carboxylate.

Reagents and conditions for each step must be optimized for the best yield and purity of the final product.