1087-97-4 | Diethyl 2-benzoylmalonate

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$50.00	$35.00
5g	95%	in stock	$139.00	$97.00
25g	95%	in stock	$177.00	$124.00

Description

• Catalog Number: AB70984
• Chemical Name: Diethyl 2-benzoylmalonate
• CAS Number: 1087-97-4
• Molecular Formula: C14H16O5
• Molecular Weight: 264.2738
• MDL Number: MFCD00059381
• SMILES: CCOC(=O)C(C(=O)c1ccccc1)C(=O)OCC

Computed Properties

• Complexity: 313
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 19
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• XLogP3: 2.5

Upstream Synthesis Route

Diethyl 2-benzoylmalonate is a versatile compound commonly utilized in chemical synthesis for its valuable applications in organic chemistry. It serves as a key building block in the preparation of various pharmaceuticals, agrochemicals, and fine chemicals due to its ability to undergo a wide range of reactions.One of the notable applications of diethyl 2-benzoylmalonate is its role as a Michael acceptor in the Knoevenagel condensation reaction. This compound reacts readily with active methylene compounds to form highly functionalized products with multiple points of diversity. The resulting products can further undergo various transformations such as cyclization, oxidation, or reduction to yield a diverse array of intermediates or final products.Furthermore, diethyl 2-benzoylmalonate is frequently employed in the synthesis of biologically active molecules, including antiviral, antibacterial, and antifungal agents. Its presence in the chemical synthesis toolkit enables chemists to access complex molecular structures efficiently and with high stereochemical control, making it a valuable asset in drug discovery and development efforts.Overall, the versatility and reactivity of diethyl 2-benzoylmalonate make it an indispensable component in the arsenal of synthetic chemists, offering numerous opportunities for the efficient construction of diverse chemical entities with potential applications across various industries.