Lot numbers can be found on the outside label of a product:
Methyl 2,2-dimethyl-3-oxobutanoate
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CAS No. 38923-57-8
- Cat. No. CS-M0049
- Purity≥95%
- MDL No.MFCD00026232
*For research and further manufacturing use only, not for direct human use.
Structure of 38923-57-8
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General Information
- CAS No. 38923-57-8
- Cat. No. CS-M0049
- Purity ≥95%
- MDL No. MFCD00026232
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₁₂O₃
- Molecular Weight 144.17
- Synonym(s) Methyl 2,2-dimethylacetoacetate
- SMILES O=C(OC)C(C)(C)C(C)=O
Description
Methyl 2,2-dimethyl-3-oxobutanoate features a sterically hindered ketone flanked by two methyl groups, enhancing its stability and resistance to enolization. This configuration supports reliable use in aldol reactions and Michael additions under standard conditions.
Application
Methyl 2,2-dimethyl-3-oxobutanoate serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of substituted ketones and heterocyclic scaffolds. Its α,β-unsaturated carbonyl system facilitates Michael additions and Claisen condensations, while the sterically hindered gem-dimethyl group enhances stability and simplifies purification. This reagent functions reliably in standard bench-scale transformations, offering predictable reactivity and high functional group tolerance for applications in medicinal chemistry and natural product synthesis.
Synthesis
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Route1
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In-stock
105-45-3 -
74-88-4 - ~96%
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In-stock
38923-57-8
References
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Johnstone, Robert A. W.; Tuli, Deepak; Rose, Malcolm E. Journal of Chemical Research, Miniprint, 1980 , # 9 p. 3593 - 3597
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Route2
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74-88-4
- ~%
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In-stock
38923-57-8
References
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Hadida Ruah, Sara S.; Grootenhuis, Peter D.J.; Van Goor, Frederick; Zhou, Jinglan; Bear, Brian; Miller, Mark T.; McCartney, Jason; Numa, Mehdi Michel Jamel Patent: US2007/244159 A1, 2007 ; Location in patent: Page/Page column 129 ;
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Route3
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In-stock
105-45-3
- ~%
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In-stock
38923-57-8
References
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Vertex Pharmaceuticals Incorported Patent: US2011/98311 A1, 2011 ;
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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 0.7746
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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