Lot numbers can be found on the outside label of a product:
Ethyl 2-cyano-4,4-diethoxybutyrate
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CAS No. 52133-67-2
- Cat. No. CS-M3533
- Purity≥95%
- MDL No.MFCD02094250
*For research and further manufacturing use only, not for direct human use.
Structure of 52133-67-2
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General Information
- CAS No. 52133-67-2
- Cat. No. CS-M3533
- Purity ≥95%
- MDL No. MFCD02094250
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₁H₁₉NO₄
- Molecular Weight 229.27
- Synonym(s) Ethyl-2-Cyano-4,4-Diethoxybutanoide
- SMILES O=C(OCC)C(C#N)CC(OCC)OCC
Description
Ethyl 2-cyano-4,4-diethoxybutyrate features a dual ester moiety flanking a cyano-substituted carbon chain, enabling robust conjugation in multicomponent reactions. This bench-stable reagent integrates efficiently into synthetic sequences requiring polar, electron-deficient electrophilic centers. Its diethoxy groups enhance solubility in organic solvents while maintaining reactivity under standard conditions.
Application
Ethyl 2-cyano-4,4-diethoxybutyrate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to γ-aminobutyric acid (GABA) derivatives and heterocyclic scaffolds via multistep transformations. Its cyano and diester functionalities offer high functional group tolerance and stability under standard reaction conditions. The molecule facilitates smooth Michael additions, cyclizations, and hydrolytic cleavage sequences, making it particularly valuable for the synthesis of bioactive intermediates and pharmaceutical precursors with predictable reactivity profiles.
Synthesis
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Route1
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105-56-6 -
2032-35-1
- ~74%
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In-stock
52133-67-2
References
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Kim, Jiae; Wang, Ligong; Li, Yongfeng; Becnel, Kimberlynne D.; Frey, Kathleen M.; Garforth, Scott J.; Prasad, Vinayaka R.; Schinazi, Raymond F.; Liotta, Dennis C.; Anderson, Karen S. Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 12 p. 4064 - 4067
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Route2
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64-17-5
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1187-46-8
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109-92-2
- ~61%
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In-stock
52133-67-2
References
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Kita, Yasuyuki; Sano, Atsunori; Yamaguchi, Takahiro; Oka, Masahisa; Gotanda, Kentoku; Matsugi, Masato Journal of Organic Chemistry, 1999 , vol. 64, # 2 p. 675 - 678
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Route3
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105-56-6
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In-stock
621-62-5 - ~49%
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In-stock
52133-67-2
References
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Gangjee, Aleem; Wang, Ying; Queener, Sherry F.; Kisliuk, Roy L. Journal of Heterocyclic Chemistry, 2006 , vol. 43, # 6 p. 1523 - 1531
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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 68.55
- LogP 1.47848
- H_Acceptors 5
- H_Donors 0
- Rotatable_Bonds 8
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