685-88-1 | Diethyl Fluoromalonate

Packsize	Purity	Availability	Price	Discounted Price
5g	98%	in stock	$8.00	$5.00
25g	98%	in stock	$15.00	$10.00
100g	98%	in stock	$43.00	$30.00

Description

• Catalog Number: AB45899
• Chemical Name: Diethyl Fluoromalonate
• CAS Number: 685-88-1
• Molecular Formula: C7H11FO4
• Molecular Weight: 178.1582
• MDL Number: MFCD10700134
• SMILES: CCOC(=O)C(C(=O)OCC)F
• NSC Number: 521723

Computed Properties

• Complexity: 151
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• XLogP3: 0.9

Upstream Synthesis Route

Diethyl Fluoromalonate is a versatile compound widely used in chemical synthesis as a key building block for various organic reactions. It serves as a valuable precursor in the preparation of complex molecules by undergoing a range of transformations to introduce fluorinated motifs into organic structures. By reacting with different nucleophiles or electrophiles, Diethyl Fluoromalonate can selectively incorporate fluorine atoms into target molecules, imparting unique properties and enhancing their chemical reactivity. This compound finds applications in the pharmaceutical, agrochemical, and material science industries, where the introduction of fluorine can greatly influence the biological activity, stability, and physical properties of the final products. Additionally, Diethyl Fluoromalonate is often utilized in the synthesis of fluorinated analogs of natural products, as well as in the creation of fluorinated building blocks for further derivatization and functionalization. Its strategic incorporation in organic syntheses enables chemists to access diverse fluorinated compounds with potential applications in drug discovery, materials development, and other fields of chemical research.

Literature

• Solving quantum ground-state problems with nuclear magnetic resonance.

  Scientific reports 20110101

• Palladium-catalyzed arylation of malonates and cyanoesters using sterically hindered trialkyl- and ferrocenyldialkylphosphine ligands.

  The Journal of organic chemistry 20020125