1-(4-Ethynylphenyl)ethanone

Name: 1-(4-Ethynylphenyl)ethanone
Brand: ChemScene
Availability: InStock
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CAS No. 42472-69-5
Cat. No. CS-0063791
Purity≥95%
MDL No.MFCD04974025

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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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Structure of 42472-69-5

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Description

1-(4-Ethynylphenyl)ethanone features a conjugated alkyne linked directly to an aromatic ring, enabling efficient copper-catalyzed azide-alkyne cycloaddition (CuAAC). This electrophilic aryl ketone integrates readily into bioconjugation workflows and functional materials. The ethynyl group exhibits high reactivity under mild conditions, while the ketone moiety provides a handle for further derivatization. Bench-stable and moisture-tolerant, it streamlines synthesis in chemical biology and polymer science applications.

Application

1-(4-Ethynylphenyl)ethanone serves as a versatile building block in transition-metal-catalyzed coupling reactions, particularly enabling efficient Sonogashira and Glaser-type homocoupling processes. The conjugated alkyne functionality exhibits excellent bench stability and compatibility with diverse functional groups, facilitating straightforward purification and integration into complex molecular architectures. This compound functions as a key intermediate in the synthesis of substituted biaryls and extended π-conjugated systems relevant to materials science and medicinal chemistry applications.

General Information

CAS No. 42472-69-5
Cat. No. CS-0063791
Purity ≥95%
MDL No. MFCD04974025
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₈O
Molecular Weight None
Synonym(s) 4-Ethynylacetophenone
SMILES CC(C1=CC=C(C#C)C=C1)=O

Computational Chemistry Data

TPSA 17.07
LogP 1.8705
H_Acceptors 1
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 : H302-H315-H319-H335
Precautionary Statements : P260-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Other Classifications

Building Blocks Functional Group Ketone

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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1-(4-Ethynylphenyl)ethanone

CAS No. 42472-69-5

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