ethyl 6-chloro-3-oxo-2,3-dihydropyridazine-4-carboxylate

CAS No. 61404-41-9
Cat. No. CS-0030497
Purity≥98%
MDL No.None

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ethyl 6-chloro-3-oxo-2,3-dihydropyridazine-4-carboxylate|CS-0030497

Structure of 61404-41-9

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Description

Ethyl 6-chloro-3-oxo-2,3-dihydropyridazine-4-carboxylate is a bench-stable heterocyclic building block featuring a chlorinated pyridazinone core. The electron-deficient ring system facilitates nucleophilic substitution and cycloaddition reactions. This compound integrates readily into medicinal chemistry scaffolds due to its compatibility with diverse functional groups and predictable reactivity under standard conditions.

Application

Ethyl 6-chloro-3-oxo-2,3-dihydropyridazine-4-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyridazinones and related pharmacophores. The molecule features orthogonal functional groups—chlorine at C6, an enone system at C3–C4, and a pendant ester—enabling sequential transformations via nucleophilic substitution, condensation, or reduction. Its bench-stable nature and compatibility with standard reaction conditions facilitate reliable use in medicinal chemistry and process development workflows.

General Information

CAS No. 61404-41-9
Cat. No. CS-0030497
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₇ClN₂O₃
Molecular Weight 202.60
Synonym(s) ethyl6-chloro-3-hydroxypyridazine-4-carboxylate
SMILES O=C(C1=CC(Cl)=NNC1=O)OCC

Computational Chemistry Data

TPSA 72.05
LogP 0.6
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 2

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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Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyridazine compounds

Key Words

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ethyl 6-chloro-3-oxo-2,3-dihydropyridazine-4-carboxylate

CAS No. 61404-41-9

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