Ethyl 2-methyl-3-oxopentanoate

Name: Ethyl 2-methyl-3-oxopentanoate
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CAS No. 759-66-0
Cat. No. CS-0121777
Purity≥95%
MDL No.MFCD00032120

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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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Ethyl 2-methyl-3-oxopentanoate|CS-0121777

Structure of 759-66-0

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General Information

CAS No. 759-66-0
Cat. No. CS-0121777
Purity ≥95%
MDL No. MFCD00032120
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₁₄O₃
Molecular Weight None
Synonym(s) Pentanoic acid,2-methyl-3-oxo-,ethyl ester
SMILES CCC(C(C)C(OCC)=O)=O

Description

Ethyl 2-methyl-3-oxopentanoate is a β-keto ester featuring a sterically hindered methyl group adjacent to the carbonyl, enhancing its stability under standard conditions. This structural motif enables efficient enolization and facilitates aldol-type condensations in synthetic sequences. The molecule integrates readily into complex molecular architectures due to its dual electrophilic centers and favorable reactivity profile.

Application

Ethyl 2-methyl-3-oxopentanoate serves as a versatile β-keto ester scaffold for multistep synthesis, enabling efficient construction of substituted cyclohexanones and heterocyclic frameworks via Claisen condensations, aldol reactions, and Michael additions. Its bench-stable nature, predictable enolization behavior, and compatibility with diverse functional groups facilitate reliable access to complex carbocyclic and heterocyclic intermediates in medicinal chemistry and natural product synthesis.

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 43.37
LogP 1.1647
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 4

Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Functional Group Ester

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Ethyl 2-methyl-3-oxopentanoate

CAS No. 759-66-0

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