Lot numbers can be found on the outside label of a product:
Ethyl 2-cyano-2-methylpropanoate
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CAS No. 1572-98-1
- Cat. No. CS-0096411
- Purity≥98%
- MDL No.MFCD00034667
*For research and further manufacturing use only, not for direct human use.
Structure of 1572-98-1
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General Information
- CAS No. 1572-98-1
- Cat. No. CS-0096411
- Purity ≥98%
- MDL No. MFCD00034667
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₁₁NO₂
- Molecular Weight 141.17
- Synonym(s) Cyanomethylpropionicacidethylester
- SMILES O=C(OCC)C(C)(C#N)C
Description
Ethyl 2-cyano-2-methylpropanoate features a sterically hindered α-cyano ester core that enables efficient Michael additions and conjugate functionalizations. The nitrile group enhances reactivity in nucleophilic transformations, while the ethyl ester provides a handle for selective derivatization. This bench-stable reagent integrates readily into synthetic sequences requiring robust C–C bond formation under mild conditions.
Application
Ethyl 2-cyano-2-methylpropanoate serves as a robust synthon for quaternary carbon centers, enabling efficient construction of sterically hindered alkylated scaffolds. Its nitrile and ester functionalities exhibit high tolerance to diverse reaction conditions, facilitating sequential transformations in multistep synthesis. The molecule demonstrates excellent bench stability and simplifies purification due to low volatility and minimal byproduct formation. It functions effectively in Michael additions, Mannich reactions, and as a key building block in the synthesis of heterocyclic frameworks and bioactive analogs.
Synthesis
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Route1
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105-56-6 -
74-88-4
- ~84%
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In-stock
1572-98-1
References
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BIOGEN IDEC MA INC.; THOMAS, Jermaine; LIU, Xiaogao; LIN, Edward, Yin-Shiang; ZHENG, Guo, Zhu; MA, Bin; CALDWELL, Richard, D.; GUCKIAN, Kevin, M.; KUMARAVEL, Gnanasambandam; TAVERAS, Arthur, G. Patent: WO2011/17561 A1, 2011 ; Location in patent: Page/Page column 61 ; WO 2011/017561 A1
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Route2
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105-56-6
- ~85%
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In-stock
1572-98-1
References
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Sumika Fine Chemicals Co., Ltd. Patent: US2003/144533 A1, 2003 ;
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Route3
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105-56-6
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77-78-1
- ~%
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In-stock
1572-98-1
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In-stock
72291-30-6
References
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WO2012/21446 A2, ; Page/Page column 29 ;
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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-H302+H312+H332-H315-H319
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Precautionary Statements : P210-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P370+P378-P403-P501
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Quality Control
Computational Chemistry Data
- TPSA 50.09
- LogP 1.09928
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 2
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