Methyl 2,2-dimethyl-3-oxobutanoate

Name: Methyl 2,2-dimethyl-3-oxobutanoate
Brand: ChemScene
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CAS No. 38923-57-8
Cat. No. CS-M0049
Purity≥95%
MDL No.MFCD00026232

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Methyl 2,2-dimethyl-3-oxobutanoate|CS-M0049

Structure of 38923-57-8

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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.

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

Computational Chemistry Data

TPSA 43.37
LogP 0.7746
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
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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Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Fatty chain compounds

Key Words

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Methyl 2,2-dimethyl-3-oxobutanoate

CAS No. 38923-57-8

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