Lot numbers can be found on the outside label of a product:
Methyl 4-methoxy-3-oxobutanoate
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CAS No. 41051-15-4
- Cat. No. CS-W007767
- Purity≥95%
- MDL No.MFCD00010183
*For research and further manufacturing use only, not for direct human use.
Structure of 41051-15-4
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General Information
- CAS No. 41051-15-4
- Cat. No. CS-W007767
- Purity ≥95%
- MDL No. MFCD00010183
- Storage RT, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₁₀O₄
- Molecular Weight 146.14
- Synonym(s) Methyl-4-methoxyacetoacetate
- SMILES O=C(OC)CC(COC)=O
Description
Methyl 4-methoxyacetoacetate has been used in generation of a small focused library of diversely functionalized dihydropyrimidine derivatives via one-pot three-component Biginelli cyclocondensation of -ketoesters, aldehydes and (thio)ureas.
Application
Methyl 4-methoxy-3-oxobutanoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted γ-keto esters and heterocyclic scaffolds. Its α,β-unsaturated carbonyl system facilitates Michael additions and Claisen condensations, while the methyl ester and methoxy group provide orthogonal reactivity for downstream functionalization. Bench-stable and readily purified by distillation or chromatography, it functions reliably in multi-step syntheses requiring controlled electrophilic activation.
Synthesis
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Route1
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In-stock
32807-28-6 - ~92%
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In-stock
41051-15-4
References
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Lonza Ltd. Patent: US4564696 A1, 1986 ;
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Route2
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107-03-9 -
In-stock
141-97-9 - ~%
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In-stock
41051-15-4
References
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Bayer Aktiengesellschaft Patent: US4120956 A1, 1978 ;
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Route3
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38330-80-2
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31059-08-2
- ~%
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In-stock
41051-15-4
References
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Allan, Kevin M.; Hong, Boram D.; Stoltz, Brian M. Organic and Biomolecular Chemistry, 2009 , vol. 7, # 23 p. 4960 - 4964
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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-H315-H319-H335
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Precautionary Statements : P210-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P403-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 52.6
- LogP -0.235
- H_Acceptors 4
- H_Donors 0
- Rotatable_Bonds 4
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Key Words
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