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Methyl 5-bromo-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylate

  • CAS No. 2091689-28-8

  • Cat. No. CS-0377998
  • Molecule weight247.05
  • Purity≥98%
  • MDL No.None

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

Methyl 5-bromo-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylate|CS-0377998

Structure of 2091689-28-8

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General Information

  • CAS No. 2091689-28-8
  • Cat. No. CS-0377998
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇BrN₂O₃
  • Molecular Weight 247.05
  • Synonym(s) 3-Pyridazinecarboxylic acid, 5-bromo-1,6-dihydro-1-methyl-6-oxo-, methyl ester
  • SMILES O=C(C1=NN(C)C(C(Br)=C1)=O)OC

Description

Methyl 5-bromo-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylate features a brominated dihydropyridazine core with orthogonal functional handles: a methyl group at N1 and a carbonyl at C6. This electron-deficient heterocycle integrates readily into transition-metal-catalyzed couplings and serves as a scaffold for diversification in medicinal chemistry and agrochemical synthesis.

Application

Methyl 5-bromo-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylate serves as a versatile building block for heterocyclic synthesis, enabling efficient access to substituted pyridazines via palladium-catalyzed cross-coupling and nucleophilic displacement reactions. Its bromine and ester functionalities offer orthogonal reactivity, facilitating downstream derivatization in medicinal chemistry and process development. The molecule exhibits good bench stability and is readily purified by standard chromatographic methods.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   61.19
  • LogP   0.3294
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   1

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