Tert-butyl 6-chloropyridazine-3-carboxylate

Name: Tert-butyl 6-chloropyridazine-3-carboxylate
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CAS No. 1340506-55-9
Cat. No. CS-0328928
Molecule weight214.65
Purity≥97%
MDL No.None

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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Tert-butyl 6-chloropyridazine-3-carboxylate|CS-0328928

Structure of 1340506-55-9

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General Information

CAS No. 1340506-55-9
Cat. No. CS-0328928
Purity ≥97%
MDL No. None
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₁ClN₂O₂
Molecular Weight 214.65
Synonym(s) 2-Methyl-2-propanyl 6-chloro-3-pyridazinecarboxylate
SMILES CC(C)(C)OC(=O)C1=NN=C(C=C1)Cl

Description

Tert-butyl 6-chloropyridazine-3-carboxylate features a chlorinated pyridazine core with a tert-butyl ester handle, enabling facile manipulation in synthetic sequences. The electron-deficient heterocycle supports nucleophilic substitution reactions under mild conditions. This bench-stable reagent integrates readily into medicinal chemistry workflows for constructing nitrogen-rich scaffolds.

Application

Tert-butyl 6-chloropyridazine-3-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyridazine scaffolds. The chloro group at the 6-position facilitates palladium-catalyzed cross-coupling reactions, while the tert-butyl ester provides stability and ease of subsequent deprotection under mild acidic conditions. Its functional group tolerance and bench stability make it well-suited for medicinal chemistry campaigns and process-scale applications.

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-P280-P302+P352

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Computational Chemistry Data

TPSA 52.08
LogP 2.0853
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic heterocycle compounds Pyridazine compounds

Key Words

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Tert-butyl 6-chloropyridazine-3-carboxylate

CAS No. 1340506-55-9

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