3-Chloro-4-ethynylpyridine

Name: 3-Chloro-4-ethynylpyridine
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CAS No. 1379109-40-6
Cat. No. CS-0445716
Purity≥97%
MDL No.None

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FedEx Limited Quantities Ground	$0.00
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Structure of 1379109-40-6

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General Information

CAS No. 1379109-40-6
Cat. No. CS-0445716
Purity ≥97%
MDL No. None
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄ClN
Molecular Weight 137.57
Synonym(s) 3-Chloro-4-éthynylpyridine
SMILES C#CC1=CC=NC=C1Cl

Description

3-Chloro-4-ethynylpyridine features a conjugated alkyne tethered to a chloropyridine core, enabling efficient coupling in cross-coupling and click chemistry applications. The electron-deficient pyridine ring enhances reactivity in palladium-catalyzed transformations, while the terminal alkyne supports robust Sonogashira and cycloaddition protocols under standard conditions.

Application

3-Chloro-4-ethynylpyridine serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal functional groups. The chloropyridine moiety facilitates nucleophilic substitution, while the terminal alkyne supports Sonogashira coupling and click chemistry applications. Its bench-stable nature and compatibility with diverse reaction conditions make it a practical choice for constructing complex heterocyclic scaffolds and functionalized aryl-alkyne architectures in medicinal chemistry and materials science.

Safety Information

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GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

TPSA 12.89
LogP 1.7163
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Alkyne

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine 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-Chloro-4-ethynylpyridine

CAS No. 1379109-40-6

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