Lot numbers can be found on the outside label of a product:
Ethyl 4,4-difluoro-3-oxobutanoate
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CAS No. 352-24-9
- Cat. No. CS-W009248
- Purity≥95%
- MDL No.MFCD00039277
*For research and further manufacturing use only, not for direct human use.
Structure of 352-24-9
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General Information
- CAS No. 352-24-9
- Cat. No. CS-W009248
- Purity ≥95%
- MDL No. MFCD00039277
- Storage 4°C, stored under nitrogen, away from moisture
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₈F₂O₃
- Molecular Weight 166.12
- Synonym(s) Ethyl 4,4-difluoroacetoacetate
- SMILES O=C(OCC)CC(C(F)F)=O
Description
Ethyl 4,4-difluoro-3-oxobutanoate features a sterically hindered β-keto ester scaffold with two fluorine atoms at the α-position, enhancing electrophilicity and metabolic stability. This bench-stable reagent integrates readily into Michael additions and condensation cascades, enabling efficient access to fluorinated heterocycles and complex carbonyl architectures under mild conditions.
Application
Ethyl 4,4-difluoro-3-oxobutanoate serves as a versatile building block in synthetic organic chemistry, enabling the construction of fluorinated heterocycles and bioactive scaffolds. Its α,α-difluoroketone functionality facilitates enolization and subsequent nucleophilic additions, while the ester group supports transformations such as reductions, hydrolyses, and coupling reactions. The molecule exhibits good bench stability and ease of purification, making it well-suited for iterative synthesis workflows in medicinal chemistry and process development.
Synthesis
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Route1
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454-31-9 - ~75%
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In-stock
352-24-9
References
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ELI LILLY AND COMPANY Patent: US2012/302608 A1, 2012 ; Location in patent: Page/Page column 4; 5 ;
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Route2
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823234-80-6
- ~75%
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In-stock
352-24-9
References
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BAYER CROPSCIENCE AKTIENGESELLSCHAFT Patent: WO2005/3077 A1, 2005 ; Location in patent: Page 12 ;
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Route3
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454-31-9
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141-78-6
- ~95%
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In-stock
352-24-9
References
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BASF SE Patent: WO2009/106619 A1, 2009 ; Location in patent: Page/Page column 7 ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H227-H315-H319
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Precautionary Statements : P210-P264-P280-P302+P352-P362+P364-P370+P378-P501
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Quality Control
Computational Chemistry Data
- TPSA 43.37
- LogP 0.7738
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 4
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