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CS-W001157 4
Total: USD 88.00

4-Bromo-3,5-dimethylpyrazole

  • CAS No. 3398-16-1

  • Cat. No. CS-W017470
  • Purity≥98%
  • MDL No.MFCD00005242

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

4-Bromo-3,5-dimethylpyrazole|CS-W017470

Structure of 3398-16-1

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General Information

  • CAS No. 3398-16-1
  • Cat. No. CS-W017470
  • Purity ≥98%
  • MDL No. MFCD00005242
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₇BrN₂
  • Molecular Weight 175.03
  • Synonym(s) None
  • SMILES CC1=N[NH]C(=C1Br)C

Description

4-Bromo-3,5-dimethylpyrazole features a sterically hindered pyrazole core with electron-deficient bromine and methyl substituents at key positions. This combination enables selective coupling in cross-coupling reactions and enhances metabolic stability in bioactive molecule design. The compound serves as a robust building block for pharmaceutical intermediates and functional materials.

Application

4-Bromo-3,5-dimethylpyrazole serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to substituted pyrazole scaffolds. Its bromine substituent facilitates palladium-catalyzed cross-coupling reactions, while the electron-rich pyrazole core exhibits excellent bench stability and compatibility with diverse functional groups. The 3,5-dimethyl substitution enhances regioselectivity in downstream transformations and contributes to favorable solubility profiles for process-scale applications.

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   28.68
  • LogP   1.78904
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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