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Ethyl 5-chloro-3-(methylthio)-1,2,4-triazine-6-carboxylate

  • CAS No. 75824-03-2

  • Cat. No. CS-B0748
  • Purity≥95%
  • MDL No.MFCD09953614

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

Ethyl 5-chloro-3-(methylthio)-1,2,4-triazine-6-carboxylate|CS-B0748

Structure of 75824-03-2

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General Information

  • CAS No. 75824-03-2
  • Cat. No. CS-B0748
  • Purity ≥95%
  • MDL No. MFCD09953614
  • Storage -20°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈ClN₃O₂S
  • Molecular Weight 233.68
  • Synonym(s) Ethyl 5-chloro-3-(methylsulfanyl)-1,2,4-triazine-6-carboxylate
  • SMILES CSC1=NN=C(C(OCC)=O)C(Cl)=N1

Description

Ethyl 5-chloro-3-(methylthio)-1,2,4-triazine-6-carboxylate is a bench-stable, moisture-tolerant triazine derivative featuring a chloro group at C5 and a methylthio substituent at C3. This electrophilic scaffold integrates readily into heterocyclic syntheses, enabling efficient access to functionalized triazinyl architectures through nucleophilic substitution or cross-coupling processes.

Application

Ethyl 5-chloro-3-(methylthio)-1,2,4-triazine-6-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to triazine-based scaffolds through nucleophilic substitution and cross-coupling reactions. The chloro group at C5 facilitates functionalization under mild conditions, while the methylthio substituent enhances reactivity and stability. Its bench-stable nature and compatibility with diverse reaction conditions make it ideal for medicinal chemistry and process development workflows.

Synthesis

  • Route1
    • ethyl 5-hydroxy-3-(methylthio)-1,2,4-triazine-6-carboxylate|CS-0006434
      31143-85-8
    • ~90%
    • In-stock
      Ethyl 5-chloro-3-(methylthio)-1,2,4-triazine-6-carboxylate|CS-B0748
      75824-03-2

    References

    • Pesson; Antoine; Benichon; et al. European Journal of Medicinal Chemistry, 1980 , vol. 15, # 3 p. 269 - 273

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   64.97
  • LogP   1.4236
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   3

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