Benzyl ethyl malonate

Name: Benzyl ethyl malonate
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CAS No. 42998-51-6
Cat. No. CS-0151620
Purity≥97%
MDL No.MFCD00009194

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Structure of 42998-51-6

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Description

Benzyl ethyl malonate serves as a pivotal synthon in organic synthesis, featuring a benzyl-protected malonic ester core. This compound integrates readily into carbon–carbon bond-forming reactions, offering enhanced stability and solubility under standard conditions. Its dual ester functionality enables selective deprotonation and subsequent alkylation, facilitating access to substituted acetic acid derivatives with high efficiency.

Application

Benzyl ethyl malonate serves as a versatile diester building block in synthetic organic chemistry, enabling efficient construction of substituted acetic acid derivatives and heterocyclic scaffolds. Its bench-stable nature and compatibility with standard alkylation, condensation, and hydrolysis protocols facilitate reliable access to pharmaceutically relevant motifs. Functions as a key intermediate in the synthesis of α-substituted carboxylic acids and bioactive compounds via established multistep sequences.

General Information

CAS No. 42998-51-6
Cat. No. CS-0151620
Purity ≥97%
MDL No. MFCD00009194
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₄O₄
Molecular Weight 222.24
Synonym(s) propanedioic acid, ethyl phenylmethyl ester
SMILES CCOC(=O)CC(=O)OCC1=CC=CC=C1

Computational Chemistry Data

TPSA 52.6
LogP 1.683
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 5

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-P330-P362+P364-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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Benzyl ethyl malonate

CAS No. 42998-51-6

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