3-Ethynylbenzamide

Name: 3-Ethynylbenzamide
Brand: ChemScene
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CAS No. 587878-75-9
Cat. No. CS-0197303
Purity≥98%
MDL No.None

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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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General Information

CAS No. 587878-75-9
Cat. No. CS-0197303
Purity ≥98%
MDL No. None
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₇NO
Molecular Weight 145.16
Synonym(s) Benzamide, 3-ethynyl- (9CI)
SMILES C#CC1=CC(C(N)=O)=CC=C1

Description

3-Ethynylbenzamide features a terminal alkyne group conjugated to an amide functionality, enabling efficient copper-catalyzed azide-alkyne cycloaddition (CuAAC) for bioconjugation and materials assembly. The electron-deficient aryl ring enhances reactivity in click chemistry applications, while the stable amide linkage resists hydrolysis under standard conditions. This combination delivers a robust, modular building block for synthetic and chemical biology workflows.

Application

3-Ethynylbenzamide serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized aromatic scaffolds via transition-metal-catalyzed coupling reactions. Its terminal alkyne group exhibits high reactivity in Sonogashira and CuAAC transformations, while the amide functionality provides stability and directional control. The compound demonstrates excellent bench stability and compatibility with diverse reaction conditions, facilitating straightforward purification and integration into complex molecular architectures.

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P501

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Computational Chemistry Data

TPSA 43.09
LogP 0.7668
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Alkyne

Building Blocks Functional Group Amide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Chemical Biology Conjugation Chemistry/Click Chemistry Terminal Alkynes

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

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3-Ethynylbenzamide

CAS No. 587878-75-9

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