Ethyl 2-(3,5-difluorophenyl)-2-oxoacetate

Name: Ethyl 2-(3,5-difluorophenyl)-2-oxoacetate
Brand: ChemScene
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CAS No. 208259-57-8
Cat. No. CS-0120869
Purity≥96%
MDL No.MFCD01319620

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Ethyl 2-(3,5-difluorophenyl)-2-oxoacetate|CS-0120869

Structure of 208259-57-8

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General Information

CAS No. 208259-57-8
Cat. No. CS-0120869
Purity ≥96%
MDL No. MFCD01319620
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₈F₂O₃
Molecular Weight None
Synonym(s) Ethyl 3,5-difluorobenzoylformate
SMILES O=C(OCC)C(C1=CC(F)=CC(F)=C1)=O

Description

Ethyl 2-(3,5-difluorophenyl)-2-oxoacetate features a sterically constrained β-keto ester core flanked by electron-deficient fluorinated aromatic substituents. This bench-stable compound integrates readily into multicomponent coupling cascades and serves as a key building block for fluorinated heterocycles in medicinal chemistry applications.

Application

Ethyl 2-(3,5-difluorophenyl)-2-oxoacetate serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of substituted cyclopropanes and heterocycles via [2+1] cycloadditions or Michael additions. Its α,β-unsaturated ester functionality exhibits excellent stability under bench conditions and tolerates a range of functional groups, facilitating straightforward purification and integration into multi-step syntheses.

Synthesis

Route1
- 461-96-1
- ~%
- In-stock
  
  208259-57-8
References
- US2002/45747 A1, ;

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P302+P352-P304+P340

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Computational Chemistry Data

TPSA 43.37
LogP 1.7106
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Ethyl 2-(3,5-difluorophenyl)-2-oxoacetate

CAS No. 208259-57-8

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