Diethyl 2,2-difluoromalonate

Name: Diethyl 2,2-difluoromalonate
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CAS No. 680-65-9
Cat. No. CS-0043634
Purity≥95%
MDL No.MFCD00221617

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Structure of 680-65-9

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Description

Diethyl 2,2-difluoromalonate features a highly electron-deficient malonate core stabilized by two fluorine atoms at the central carbon. This bench-stable reagent enables direct fluorination in synthetic sequences, integrating readily into nucleophilic substitution and Michael addition cascades. Its moisture-tolerant profile simplifies handling under standard conditions.

Application

Diethyl 2,2-difluoromalonate serves as a versatile synthon in synthetic organic chemistry, enabling the introduction of geminal difluoride motifs into complex molecules. Its malonate core facilitates nucleophilic substitution and condensation reactions, while the electron-withdrawing difluoromethylene group enhances α-proton acidity and stabilizes enol intermediates. The compound exhibits good bench stability and compatibility with standard functional groups, making it ideal for constructing fluorinated building blocks in medicinal chemistry and agrochemical research.

General Information

CAS No. 680-65-9
Cat. No. CS-0043634
Purity ≥95%
MDL No. MFCD00221617
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₁₀F₂O₄
Molecular Weight 196.15
Synonym(s) diethyl difluoropropanedioate
SMILES O=C(OCC)C(F)(F)C(OCC)=O

Computational Chemistry Data

TPSA 52.6
LogP 0.7479
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 4

Safety Information

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GHS Pictogram :	GHS No : GHS02,GHS06
Signal Word : Danger	UN#: 2810
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H225-H301-H315-H319-H335
Precautionary Statements : P210-P240-P241-P280-P370+P378

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Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Fatty chain compounds

Material Science Polymer Materials Macromolecular Monomer

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Diethyl 2,2-difluoromalonate

CAS No. 680-65-9

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