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Methyl 5-chloro-1H-pyrazole-3-carboxylate

  • CAS No. 1810069-85-2

  • Cat. No. CS-0048987
  • Purity≥98%
  • MDL No.None

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

Methyl 5-chloro-1H-pyrazole-3-carboxylate|CS-0048987

Structure of 1810069-85-2

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General Information

  • CAS No. 1810069-85-2
  • Cat. No. CS-0048987
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅ClN₂O₂
  • Molecular Weight 160.56
  • Synonym(s) 1H-Pyrazole-3-carboxylic acid, 5-chloro-, methyl ester
  • SMILES COC(=O)C1=NNC(Cl)=C1

Description

Methyl 5-chloro-1H-pyrazole-3-carboxylate features a chlorinated pyrazole core with a methyl ester at the C3 position, offering enhanced electrophilicity and stability under standard conditions. This bench-stable reagent integrates readily into heterocyclic synthesis, enabling efficient access to functionalized pyrazole scaffolds via cross-coupling or nucleophilic substitution reactions.

Application

Methyl 5-chloro-1H-pyrazole-3-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyrazole scaffolds via palladium-catalyzed cross-coupling and nucleophilic substitution reactions. The chloro group at the 5-position provides high reactivity for C–H functionalization, while the ester moiety offers handleable polarity and compatibility with standard purification methods. Its bench-stable nature and predictable regioselectivity make it well-suited for medicinal chemistry campaigns and process development workflows.

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   54.98
  • LogP   0.8497
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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