Lot numbers can be found on the outside label of a product:
Methyl 4-methyl-3-oxopentanoate
-
CAS No. 42558-54-3
- Cat. No. CS-0015396
- Purity≥96%
- MDL No.MFCD00040499
*For research and further manufacturing use only, not for direct human use.
Structure of 42558-54-3
Please choose your location and provide accurate information for you
| Size |
|
Price | Quantity | |||
|---|---|---|---|---|---|---|
|
* Please select Quantity before adding items. |
||||||
Recommended Products
General Information
- CAS No. 42558-54-3
- Cat. No. CS-0015396
- Purity ≥96%
- MDL No. MFCD00040499
- Storage RT, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₁₂O₃
- Molecular Weight 144.17
- Synonym(s) Methyl isobutyrylacetate
- SMILES CC(C)C(CC(OC)=O)=O
Description
Methyl isobutyrylacetate serves as a key building block in synthetic organic chemistry, featuring a β-keto ester moiety flanked by a branched aliphatic chain. This structure enables efficient enolate formation and facilitates C–C bond construction under mild conditions. The molecule demonstrates robust stability and compatibility with diverse reaction environments, supporting its use in the synthesis of complex carbonyl-containing architectures.
Application
Methyl isobutyrylacetate serves as a versatile β-keto ester building block in synthetic organic chemistry, enabling efficient construction of substituted cyclohexanones and heterocyclic scaffolds via Claisen condensations and aldol-type reactions. Its α,β-unsaturated ester functionality facilitates Michael additions and conjugate functionalizations, while the tert-butyl group provides steric protection and enhanced bench stability. The compound exhibits favorable handling characteristics, moderate volatility, and straightforward purification by distillation or chromatography, making it well-suited for iterative synthesis workflows in medicinal chemistry and process development.
Synthesis
-
Route1
-
563-80-4 -
616-38-6
- ~85%
-
In-stock
42558-54-3
References
-
Sagyam, Rajeshwar Reddy; Vurimidi, Himabindu; Padi, Pratap Reddy; Ghanta, Mahesh Reddy Journal of Heterocyclic Chemistry, 2007 , vol. 44, # 4 p. 923 - 926
-
-
Route2
-
50652-78-3 - ~64%
-
In-stock
42558-54-3
References
-
Tsuji, Jiro; Nagashima, Hideo; Hori, Kimihiko Chemistry Letters, 1980 , p. 257 - 260
-
-
Route3
-
67-56-1
-
In-stock
2033-24-1 -
79-30-1
- ~76%
-
In-stock
42558-54-3
References
-
Teng, Xin; Keys, Heather; Jeevanandam, Arumugasamy; Porco Jr., John A.; Degterev, Alexei; Yuan, Junying; Cuny, Gregory D. Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 24 p. 6836 - 6840
-
Safety Information
Download SDS|
GHS Pictogram :
|
GHS No : GHS05
|
|
Signal Word : Danger
|
UN#: 1760
|
|
Class : 8
|
Packing Group : Ⅲ
|
|
Hazard Statements : H318
|
|
|
Precautionary Statements : P280-P305+P351+P338-P310
|
|
Quality Control
Computational Chemistry Data
- TPSA 43.37
- LogP 0.7746
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 3
Similar Products
Other Classifications
Recently Viewed Products
Leave US a Message
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Upload Pictures
|
|
Key Words
- Methyl 4-methyl-3-oxopentanoate sigmaMethyl 4-methyl-3-oxopentanoate manufacturerMethyl 4-methyl-3-oxopentanoate priceMethyl 4-methyl-3-oxopentanoate structureMethyl 4-methyl-3-oxopentanoate SDSbuy Methyl 4-methyl-3-oxopentanoateMethyl 4-methyl-3-oxopentanoate supplierMethyl 4-methyl-3-oxopentanoate usesMethyl 4-methyl-3-oxopentanoate molecular weightprice of Methyl 4-methyl-3-oxopentanoateMethyl 4-methyl-3-oxopentanoate chemical name formula of Methyl 4-methyl-3-oxopentanoate