Ethyl 3-(2,6-difluorophenyl)-3-oxopropanoate

Name: Ethyl 3-(2,6-difluorophenyl)-3-oxopropanoate
Brand: ChemScene
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CAS No. 97305-12-9
Cat. No. CS-0099786
Purity≥97%
MDL No.MFCD11041490

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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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Ethyl 3-(2,6-difluorophenyl)-3-oxopropanoate|CS-0099786

Structure of 97305-12-9

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General Information

CAS No. 97305-12-9
Cat. No. CS-0099786
Purity ≥97%
MDL No. MFCD11041490
Storage RT, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₀F₂O₃
Molecular Weight 228.19
Synonym(s) None
SMILES O=C(CC(C1=C(C=CC=C1F)F)=O)OCC

Description

Ethyl 3-(2,6-difluorophenyl)-3-oxopropanoate features a conjugated enone system flanked by a sterically hindered difluorophenyl group and an ethyl ester. This electron-deficient β-ketoester integrates readily into Michael additions and Claisen condensations under mild conditions. The ortho-fluorine substitution enhances metabolic stability and modulates electronic properties for use in pharmaceutical intermediates and functional materials synthesis.

Application

Ethyl 3-(2,6-difluorophenyl)-3-oxopropanoate serves as a versatile building block in medicinal chemistry, enabling efficient construction of fluorinated heterocycles and bioactive scaffolds. Its α,β-unsaturated ketone functionality facilitates Michael additions, condensations, and cyclizations under mild conditions. The molecule exhibits good bench stability, ease of purification, and compatibility with diverse functional groups, making it well-suited for iterative synthesis campaigns and scale-up applications.

Synthesis

Route1
- In-stock
  
  6148-64-7
- In-stock
  
  385-00-2
- ~%
- In-stock
  
  97305-12-9
References
- MERCK SHARP and; DOHME CORP.; BESHORE, Douglas, C.; KUDUK, Scott, D. Patent: WO2010/96338 A1, 2010 ; Location in patent: Page/Page column 40; 41 ;
Route2
- In-stock
  
  6148-64-7
- 18063-02-0
- ~30%
- In-stock
  
  97305-12-9
References
- Rossollin; Lokshin; Samat; Guglielmetti Tetrahedron, 2003 , vol. 59, # 39 p. 7725 - 7731

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H317-H319
Precautionary Statements : P261-P264-P272-P280-P302+P352-P362+P364-P501

Quality Control

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Computational Chemistry Data

TPSA 43.37
LogP 2.1007
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 4

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 3-(2,6-difluorophenyl)-3-oxopropanoate

CAS No. 97305-12-9

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