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CS-W001157 4
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Ethyl 4,6-dichloropyridazine-3-carboxylate

  • CAS No. 679406-03-2

  • Cat. No. CS-W022681
  • Purity≥96%
  • MDL No.MFCD11521570

*For research and further manufacturing use only, not for direct human use.

Ethyl 4,6-dichloropyridazine-3-carboxylate|CS-W022681

Structure of 679406-03-2

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General Information

  • CAS No. 679406-03-2
  • Cat. No. CS-W022681
  • Purity ≥96%
  • MDL No. MFCD11521570
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆Cl₂N₂O₂
  • Molecular Weight 221.04
  • Synonym(s) 4,6-Dichloro-pyridazine-3-carboxylic acid ethyl ester
  • SMILES O=C(C1=NN=C(Cl)C=C1Cl)OCC

Description

Ethyl 4,6-dichloropyridazine-3-carboxylate features a pyridazine core bearing two chlorine substituents at the 4- and 6-positions and an ethyl ester group at C3. This electrophilic scaffold enables direct functionalization in cross-coupling reactions and serves as a key intermediate in the synthesis of bioactive heterocycles. The molecule exhibits enhanced stability under standard handling conditions and facilitates efficient derivatization in medicinal chemistry campaigns.

Application

Ethyl 4,6-dichloropyridazine-3-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyridazines via nucleophilic displacement and cross-coupling reactions. The dichloro substitution pattern facilitates sequential functionalization at C4 and C6 positions, while the ester group supports further derivatization. Its bench-stable nature and compatibility with standard reaction conditions make it ideal for medicinal chemistry and process development workflows.

Synthesis

  • Route1

    References

    • US2004/77653 A1, ; Page 18 ; US 20040077653 A1
  • Route2

    References

    • WO2014/74661 A1, ;

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-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   52.08
  • LogP   1.9601
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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