Lot numbers can be found on the outside label of a product:
Ethyl 2-benzylacetoacetate
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CAS No. 620-79-1
- Cat. No. CS-0071602
- Purity≥95%
- MDL No.MFCD00009156
*For research and further manufacturing use only, not for direct human use.
Structure of 620-79-1
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General Information
- CAS No. 620-79-1
- Cat. No. CS-0071602
- Purity ≥95%
- MDL No. MFCD00009156
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₃H₁₆O₃
- Molecular Weight 220.26
- Synonym(s) Ethyl-2-benzylacetoacetate
- SMILES O=C(OCC)C(CC1=CC=CC=C1)C(C)=O
Description
Ethyl 2-benzylacetoacetate is a versatile β-keto ester featuring a benzyl-substituted acetyl moiety, enabling direct incorporation into heterocyclic ring systems. This bench-stable reagent facilitates efficient synthesis of functionalized pyrones and related scaffolds under mild conditions.
Application
Ethyl 2-benzylacetoacetate serves as a versatile β-keto ester scaffold for the synthesis of substituted pyridines, quinolines, and other heterocyclic systems via condensation and cyclization protocols. Its well-documented reactivity enables efficient access to medicinally relevant core structures, with bench-stable handling and straightforward purification by distillation or chromatography. Functions reliably in Knoevenagel, Claisen, and Mannich-type transformations.
Synthesis
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Route1
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In-stock
141-97-9 -
100-44-7 - ~91%
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In-stock
620-79-1
References
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Zhu, Jingyang; You, Li; Zhao, Shannon X; White, Brenda; Chen, Jason G; Skonezny, Paul M Tetrahedron Letters, 2002 , vol. 43, # 42 p. 7585 - 7587
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Route2
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100-39-0
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In-stock
141-97-9
- ~88%
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In-stock
620-79-1
References
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Beddow, James E.; Davies, Stephen G.; Ling, Kenneth B.; Roberts, Paul M.; Russell, Angela J.; Smith, Andrew D.; Thomson, James E. Organic and Biomolecular Chemistry, 2007 , vol. 5, # 17 p. 2812 - 2825
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Route3
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In-stock
620-80-4 - ~97%
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In-stock
620-79-1
References
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Al-Hassan, Saieba S.; Kulick, Russell J; Livingstone, Daniel B.; Suckling, Colin J.; Wood, Hamish C. S.; et al. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1980 , p. 2645 - 2656
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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 : H317-H319
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Precautionary Statements : P261-P264-P272-P280-P302+P352-P362+P364-P501
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Quality Control
Computational Chemistry Data
- TPSA 43.37
- LogP 1.9974
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 5
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Key Words
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