Lot numbers can be found on the outside label of a product:
Ethyl 3-(2,4-dichlorophenyl)-3-oxopropanoate
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CAS No. 60868-41-9
- Cat. No. CS-0058998
- Purity≥97%
- MDL No.MFCD03424829
*For research and further manufacturing use only, not for direct human use.
Structure of 60868-41-9
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General Information
- CAS No. 60868-41-9
- Cat. No. CS-0058998
- Purity ≥97%
- MDL No. MFCD03424829
- Storage RT, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₁H₁₀Cl₂O₃
- Molecular Weight None
- Synonym(s) Ethyl 2,4-dichloro-b-oxo-benzenepropanoate
- SMILES O=C(OCC)CC(C1=C(Cl)C=C(Cl)C=C1)=O
Description
Ethyl 3-(2,4-dichlorophenyl)-3-oxopropanoate is a bench-stable β-keto ester featuring a sterically accessible carbonyl and electron-deficient aryl group. This structure enables efficient enolization and serves as a key building block in the synthesis of heterocyclic compounds and bioactive intermediates under standard conditions.
Application
Ethyl 3-(2,4-dichlorophenyl)-3-oxopropanoate serves as a versatile Michael acceptor and enolizable ketone building block in synthetic organic chemistry. Its α,β-unsaturated ester functionality enables efficient conjugate additions and Claisen-type condensations, while the ortho-dichlorophenyl group provides enhanced electrophilicity and metabolic stability. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for multi-step syntheses of pharmaceutical intermediates and heterocyclic scaffolds.
Synthesis
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Route1
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2234-16-4 -
105-58-8 - ~%
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In-stock
60868-41-9
References
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WO2005/108412 A1, ; Page/Page column 41-42 ;
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Route2
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In-stock
2881-63-2 - ~%
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In-stock
60868-41-9
References
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US4308391 A1, ;
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Route3
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In-stock
1071-46-1 -
89-75-8
- ~76%
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In-stock
60868-41-9
References
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Reuman, Michael; Daum, Sol J.; Singh, Baldev; Wentland, Mark P.; Perni, Robert B.; et al. Journal of Medicinal Chemistry, 1995 , vol. 38, # 14 p. 2531 - 2540
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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 : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 43.37
- LogP 3.1293
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 4
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Key Words
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