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CS-W001157 4
Total: USD 88.00

1,4-Dimethyl-1H-pyrazole

  • CAS No. 1072-68-0

  • Cat. No. CS-W021288
  • Purity≥97%
  • MDL No.MFCD01075158

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

1,4-Dimethyl-1H-pyrazole|CS-W021288

Structure of 1072-68-0

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General Information

  • CAS No. 1072-68-0
  • Cat. No. CS-W021288
  • Purity ≥97%
  • MDL No. MFCD01075158
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₈N₂
  • Molecular Weight 96.13
  • Synonym(s) 1,4-Dimethylpyrazole
  • SMILES CC1=CN(C)N=C1

Description

1,4-Dimethyl-1H-pyrazole features a substituted pyrazole core with methyl groups at the 1- and 4-positions, enhancing solubility and stability. This bench-stable heterocycle integrates readily into synthetic scaffolds for medicinal chemistry and materials science. Its electron-rich nature supports diverse coupling reactions and enables efficient incorporation into functional molecular architectures.

Application

1,4-Dimethyl-1H-pyrazole serves as a versatile heterocyclic building block in medicinal chemistry and process development. Its stable pyrazole core exhibits favorable functional group tolerance and facilitates diverse transformations including electrophilic substitution and transition-metal-catalyzed coupling reactions. The methyl groups enhance solubility and metabolic stability, enabling efficient incorporation into bioactive scaffolds. This compound functions effectively as a synthetic intermediate for API candidates and is well-suited for scale-up due to its bench-stable nature and straightforward purification.

Synthesis

  • Route1

    References

    • Nissan Chemical Industries Ltd. Patent: US5705656 A1, 1998 ;
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    • In-stock
      1,4-Dimethyl-1H-pyrazole|CS-W021288
      1072-68-0

    References

    • WO2008/98104 A1, ; Page/Page column 90 ; WO 2008/098104 A1
  • Route3
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    • In-stock
      1,4-Dimethyl-1H-pyrazole|CS-W021288
      1072-68-0

    References

    • US5283341 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

Quality Control

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Computational Chemistry Data

  • TPSA   17.82
  • LogP   0.72852
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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