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Methyl 2-methyl-2H-1,2,3-triazole-4-carboxylate

  • CAS No. 105020-39-1

  • Cat. No. CS-0129792
  • Molecule weight141.13
  • Purity≥97%
  • MDL No.MFCD16495898

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

Methyl 2-methyl-2H-1,2,3-triazole-4-carboxylate|CS-0129792

Structure of 105020-39-1

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General Information

  • CAS No. 105020-39-1
  • Cat. No. CS-0129792
  • Purity ≥97%
  • MDL No. MFCD16495898
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₇N₃O₂
  • Molecular Weight 141.13
  • Synonym(s) Methyl 2-Methyl-1,2,3-triazole-4-carboxylate
  • SMILES O=C(C1=NN(C)N=C1)OC

Description

Methyl 2-methyl-2H-1,2,3-triazole-4-carboxylate features a stable triazole core with a methyl-substituted nitrogen and a carboxylate ester group. This bench-stable scaffold integrates readily into click chemistry workflows, offering enhanced solubility and compatibility in synthetic transformations.

Application

Methyl 2-methyl-2H-1,2,3-triazole-4-carboxylate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to triazolyl heterocycles via nucleophilic substitution and metal-catalyzed coupling reactions. Its stability under standard bench conditions, combined with excellent functional group tolerance and straightforward purification, makes it ideal for constructing bioactive scaffolds in medicinal chemistry and materials science applications.

Synthesis

  • Route1
    • null|null
      186581-53-3
    • null|null
      17640-15-2
    • ~26%
    • In-stock
      Methyl 1-methyl-1H-1,2,3-triazole-5-carboxylate|CS-0127886
      105020-38-0
    • In-stock
      Methyl 2-methyl-2H-1,2,3-triazole-4-carboxylate|CS-0129792
      105020-39-1

    References

    • WO2011/63502 A1, ; Page/Page column 49 ; WO 2011/063502 A1
  • Route2

    References

    • WO2007/71900 A1, ; Page/Page column 110 ;
  • Route3

    References

    • Research on Chemical Intermediates, , vol. 38, # 3-5 p. 1101 - 1109

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

Quality Control

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Computational Chemistry Data

  • TPSA   57.01
  • LogP   -0.3983
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   1

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