Lot numbers can be found on the outside label of a product:
Diethyl acetylsuccinate
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CAS No. 1115-30-6
- Cat. No. CS-0067336
- Purity≥97%
- MDL No.MFCD00009157
*For research and further manufacturing use only, not for direct human use.
Structure of 1115-30-6
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General Information
- CAS No. 1115-30-6
- Cat. No. CS-0067336
- Purity ≥97%
- MDL No. MFCD00009157
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₆O₅
- Molecular Weight 216.23
- Synonym(s) diethyl 2-acetylbutanedioate
- SMILES O=C(OCC)C(C(C)=O)CC(OCC)=O
Description
Diethyl acetylsuccinate serves as a key synthon in organic synthesis, featuring a β-keto ester moiety flanked by ethyl groups that enable controlled enolization and nucleophilic addition. This structure facilitates efficient C–C bond formation under mild conditions, making it valuable for constructing complex carbocyclic and heterocyclic frameworks in medicinal chemistry and natural product synthesis.
Application
Diethyl acetylsuccinate serves as a versatile synthon in organic synthesis, enabling efficient construction of substituted succinates and heterocyclic scaffolds. Its dual ester functionality and α,β-unsaturated carbonyl system facilitate nucleophilic additions, Michael reactions, and cycloadditions under mild conditions. The compound exhibits excellent bench stability and is readily purified by distillation or column chromatography, making it well-suited for scalable laboratory workflows and downstream derivatization in medicinal chemistry campaigns.
Synthesis
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Route1
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In-stock
141-97-9 -
105-36-2 - ~69%
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In-stock
1115-30-6
References
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Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , # 3 p. 365 - 368
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Route2
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In-stock
141-97-9
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105-39-5
- ~77%
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In-stock
1115-30-6
References
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Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), , vol. 39, # 2.2 p. 412 - 413 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, , # 2 p. 474 - 475
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Route3
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75-07-0
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In-stock
623-91-6 - ~40%
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In-stock
1115-30-6
References
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Organic and Biomolecular Chemistry, , vol. 9, # 7 p. 2069 - 2071
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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 69.67
- LogP 0.7079
- H_Acceptors 5
- H_Donors 0
- Rotatable_Bonds 6
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