Methyl 4-ethynylbenzoate

Name: Methyl 4-ethynylbenzoate
Brand: ChemScene
Availability: InStock
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CAS No. 3034-86-4
Cat. No. CS-W007435
Purity≥96%
MDL No.MFCD00168820

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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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Description

Methyl 4-ethynylbenzoate features a para-substituted ethynyl group enabling efficient copper-catalyzed coupling reactions. This bench-stable ester integrates readily into diverse molecular architectures, offering high functional group tolerance and compatibility with standard reaction conditions in synthetic organic chemistry workflows.

Application

Methyl 4-ethynylbenzoate serves as a versatile building block in transition-metal-catalyzed coupling reactions, enabling efficient access to substituted biaryls and conjugated systems. Its terminal alkyne functionality exhibits high compatibility with Sonogashira, Glaser, and Hay coupling protocols, while the ester group provides stability and facilitates downstream transformations. The compound demonstrates excellent bench stability and is readily purified by standard chromatographic methods, making it well-suited for iterative synthetic sequences in medicinal chemistry and materials science applications.

General Information

CAS No. 3034-86-4
Cat. No. CS-W007435
Purity ≥96%
MDL No. MFCD00168820
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₈O₂
Molecular Weight 160.17
Synonym(s) p-Ethynylbenzoic acid methyl ester
SMILES O=C(OC)C1=CC=C(C#C)C=C1

Computational Chemistry Data

TPSA 26.3
LogP 1.4545
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Life Science Click Chemistry Reagents Alkyne

Chemical Biology Pharmaceutical Development and Drug Discovery Research Conjugation Chemistry/Click Chemistry Terminal Alkynes

Chemical Biology Conjugation Chemistry/Click Chemistry Terminal Alkynes

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Methyl 4-ethynylbenzoate

CAS No. 3034-86-4

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