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CS-W001157 4
Total: USD 88.00

4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid

  • CAS No. 84547-84-2

  • Cat. No. CS-W000415
  • Purity≥98%
  • MDL No.MFCD00463982

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

4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid|CS-W000415

Structure of 84547-84-2

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General Information

  • CAS No. 84547-84-2
  • Cat. No. CS-W000415
  • Purity ≥98%
  • MDL No. MFCD00463982
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅BrN₂O₂
  • Molecular Weight 205.01
  • Synonym(s) 4-bromo-1-methylpyrazole-5-carboxylic acid
  • SMILES Cn1ncc(c1C(=O)O)Br

Description

4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid features a brominated pyrazole core with a carboxylic acid at the 5-position, enabling direct conjugation or derivatization. The methyl group enhances solubility and stability under standard conditions. This scaffold integrates readily into bioactive molecule design, particularly in medicinal chemistry campaigns targeting heterocyclic systems.

Application

4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid serves as a versatile building block for the synthesis of pyrazole-based heterocycles, enabling efficient coupling reactions via its carboxylic acid and halogen functionalities. The molecule exhibits excellent bench stability and facilitates orthogonal functionalization in medicinal chemistry workflows, particularly in the construction of kinase inhibitors and other bioactive scaffolds.

Synthesis

  • Route1

    References

    • Manaev, Yu. A.; Andreeva, M. A.; Perevalov, V. P.; Stepanov, B. I.; Dubrovskaya, V. A.; Seraya, V. I. J. Gen. Chem. USSR (Engl. Transl.), 1982 , vol. 52, # 11 p. 2592 - 2598,2291 - 2296
  • Route2

    References

    • Manaev, Yu. A.; Andreeva, M. A.; Perevalov, V. P.; Stepanov, B. I.; Dubrovskaya, V. A.; Seraya, V. I. J. Gen. Chem. USSR (Engl. Transl.), 1982 , vol. 52, # 11 p. 2592 - 2598,2291 - 2296
  • Route3

    References

    • WO2005/66147 A1, ; Page/Page column 183 ; WO 2005/066147 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   55.12
  • LogP   0.8808
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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