3,6-Dichloropyridin-2(1H)-one

Name: 3,6-Dichloropyridin-2(1H)-one
Brand: ChemScene
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CAS No. 57864-39-8
Cat. No. CS-0310714
Purity≥98%
MDL No.MFCD01861981

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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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3,6-Dichloropyridin-2(1H)-one|CS-0310714

Structure of 57864-39-8

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General Information

CAS No. 57864-39-8
Cat. No. CS-0310714
Purity ≥98%
MDL No. MFCD01861981
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₃Cl₂NO
Molecular Weight 163.99
Synonym(s) 3,6-Dichloro-2-hydroxypyridine
SMILES O=C1C(Cl)=CC=C(Cl)N1

Description

3,6-Dichloropyridin-2(1H)-one features a planar heteroaromatic core with two chlorine substituents at electron-deficient positions, enhancing its reactivity in nucleophilic substitution. This bench-stable compound integrates readily into synthetic scaffolds requiring halogen-directed functionalization or serves as a key intermediate in the development of bioactive molecules.

Application

3,6-Dichloropyridin-2(1H)-one serves as a versatile building block in medicinal chemistry, enabling efficient construction of pyridine-based heterocycles. Its dual chlorine substituents provide orthogonal reactivity for sequential functionalization, while the enolizable carbonyl supports nucleophilic substitution and coupling reactions. Bench-stable and readily purified, it facilitates scalable synthesis of API intermediates and complex scaffolds through well-established transformation pathways.

Safety Information

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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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 32.86
LogP 1.6817
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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3,6-Dichloropyridin-2(1H)-one

CAS No. 57864-39-8

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