28781-85-3 | 2,2-Difluoropropionic acid ethyl ester

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$10.00	$7.00
5g	98%	in stock	$18.00	$12.00
25g	98%	in stock	$58.00	$40.00
100g	98%	in stock	$208.00	$145.00

Description

• Catalog Number: AB35158
• Chemical Name: 2,2-Difluoropropionic acid ethyl ester
• CAS Number: 28781-85-3
• Molecular Formula: C5H8F2O2
• Molecular Weight: 138.1126
• MDL Number: MFCD06657970
• SMILES: CCOC(=O)C(F)(F)C

Computed Properties

• Complexity: 112
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• XLogP3: 1.1

Upstream Synthesis Route

Ethyl 2,2-difluoropropionate is a versatile chemical compound commonly utilized in chemical synthesis. This compound serves an essential role as a building block in the creation of various pharmaceuticals, agrochemicals, and fine chemicals. Its unique structure and reactivity make it a valuable precursor in the synthesis of fluorinated compounds, which are known for their significance in medicinal chemistry and materials science. Ethyl 2,2-difluoropropionate can be employed in the formation of fluorinated intermediates, such as fluorinated amino acids, fluorinated heterocycles, and fluorinated building blocks, through different synthetic routes including nucleophilic fluorination, radical fluorination, and transition metal-catalyzed processes. Its incorporation into molecular structures imparts desirable properties such as increased metabolic stability, altered bioactivity, and enhanced binding interactions, making it a key component in the development of new chemical entities with potential therapeutic, agricultural, or material applications.

Literature

• Perfluorinated markers for hypoxia detection: synthesis of sulfur-containing precursors and [18F]-labelling.

  Bioorganic & medicinal chemistry 20050215