Methyl 2-chloro-3-oxobutanoate

Name: Methyl 2-chloro-3-oxobutanoate
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CAS No. 4755-81-1
Cat. No. CS-W018135
Purity≥95%
MDL No.MFCD00008757

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Methyl 2-chloro-3-oxobutanoate|CS-W018135

Structure of 4755-81-1

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Description

Methyl 2-chloro-3-oxobutanoate is a reactive acylating agent featuring a chlorinated β-keto ester scaffold. This compound integrates a labile chlorine atom adjacent to a ketone carbonyl, enabling nucleophilic substitution under mild conditions. The methyl ester group enhances solubility in organic solvents and facilitates downstream derivatization. It serves as a key intermediate in the synthesis of heterocycles and functionalized building blocks for medicinal chemistry.

Application

Methyl 2-chloro-3-oxobutanoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized β-keto esters and heterocyclic scaffolds. Its α-chloro ketone functionality facilitates nucleophilic substitution and Claisen-type condensations, while the ester group supports subsequent transformations. The compound exhibits good bench stability and is compatible with common protecting group strategies, making it valuable for modular synthesis of complex intermediates in medicinal chemistry and process development workflows.

General Information

CAS No. 4755-81-1
Cat. No. CS-W018135
Purity ≥95%
MDL No. MFCD00008757
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₇ClO₃
Molecular Weight 150.56
Synonym(s) Methyl 2-chloroacetoacetate
SMILES O=C(C)C(Cl)C(OC)=O

Computational Chemistry Data

TPSA 43.37
LogP 0.3558
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

Safety Information

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GHS Pictogram :	GHS No : GHS05
Signal Word : Danger	UN#: 1760
Class : 8	Packing Group : Ⅲ
Hazard Statements : H227-H314
Precautionary Statements : P210-P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P370+P378-P403-P405-P501

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Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Functional Group Ester

Building Blocks Skeleton Fatty chain compounds

Key Words

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Methyl 2-chloro-3-oxobutanoate

CAS No. 4755-81-1

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