1080-79-1 | Diethyl 4,5-imidazole-1H-4,5-dicarboxylate

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$33.00	$23.00
5g	95%	in stock	$79.00	$55.00
25g	95%	in stock	$231.00	$162.00
100g	95%	in stock	$692.00	$484.00

Description

• Catalog Number: AD66869
• Chemical Name: Diethyl 4,5-imidazole-1H-4,5-dicarboxylate
• CAS Number: 1080-79-1
• Molecular Formula: C9H12N2O4
• Molecular Weight: 212.2026
• MDL Number: MFCD00723829
• SMILES: CCOC(=O)c1[nH]cnc1C(=O)OCC
• NSC Number: 514471

Computed Properties

• Complexity: 244
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 6
• XLogP3: 1.2

Upstream Synthesis Route

Diethyl 1H-imidazole-4,5-dicarboxylate is a versatile compound that finds extensive application in chemical synthesis. Due to its unique structure and reactivity, this compound is commonly employed as a key building block in the synthesis of various pharmaceuticals, agrochemicals, and functional materials. Its presence in the chemical synthesis process allows for the introduction of the imidazole ring system, which confers desirable properties and functionalities to the final products. Additionally, the diethyl ester functionality enhances the compound's stability and facilitates further derivatization, making it an essential component in the creation of complex molecular structures with tailored properties. In summary, Diethyl 1H-imidazole-4,5-dicarboxylate serves as a crucial intermediate in the synthesis of diverse compounds with applications in drug discovery, materials science, and other fields of chemistry.