352-24-9 | Ethyl 4,4-difluoroacetoacetate

Packsize	Purity	Availability	Price	Discounted Price
25g	98%	in stock	$7.00	$5.00
100g	98%	in stock	$27.00	$19.00
500g	98%	in stock	$126.00	$88.00

Description

• Catalog Number: AB49637
• Chemical Name: Ethyl 4,4-difluoroacetoacetate
• CAS Number: 352-24-9
• Molecular Formula: C6H8F2O3
• Molecular Weight: 166.1227
• MDL Number: MFCD00039277
• SMILES: CCOC(=O)CC(=O)C(F)F

Computed Properties

• Complexity: 156
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• XLogP3: 1.1

Upstream Synthesis Route

Ethyl 4,4-difluoroacetoacetate is a versatile compound widely used in chemical synthesis as a key building block in the preparation of various pharmaceuticals, agrochemicals, and fine chemicals. This compound serves as a crucial precursor in the synthesis of fluorinated compounds, which are valuable in medicinal chemistry due to their unique properties.In chemical synthesis, Ethyl 4,4-difluoroacetoacetate can undergo various reactions such as nucleophilic substitution, condensation, and addition reactions to introduce difluoromethyl groups into the target molecules. These difluoromethyl groups can significantly alter the physicochemical properties of the final compounds, leading to enhanced biological activity and metabolic stability.Additionally, Ethyl 4,4-difluoroacetoacetate can be used in the preparation of fluorinated building blocks, which are essential for the synthesis of complex molecules with fluorine-containing moieties. Its ability to serve as a source of difluoromethyl groups makes it a valuable tool for introducing fluorine atoms into organic molecules, enhancing their bioavailability and pharmacokinetic profiles.Overall, the application of Ethyl 4,4-difluoroacetoacetate in chemical synthesis enables the efficient construction of fluorinated compounds with diverse applications in drug discovery, material science, and agricultural chemistry. Its unique reactivity and fluorinated functionality make it a valuable reagent for designing and synthesizing novel compounds with improved properties.