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CS-W001157 4
Total: USD 88.00

3-(Bromomethyl)-1-methyl-1H-pyrazole

  • CAS No. 102846-13-9

  • Cat. No. CS-0440193
  • Purity≥95%
  • MDL No.MFCD06738775

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

3-(Bromomethyl)-1-methyl-1H-pyrazole|CS-0440193

Structure of 102846-13-9

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General Information

  • CAS No. 102846-13-9
  • Cat. No. CS-0440193
  • Purity ≥95%
  • MDL No. MFCD06738775
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₇BrN₂
  • Molecular Weight 175.03
  • Synonym(s) 3-BROMOMETHYL-1-METHYL-1H-PYRAZOLE
  • SMILES CN1C=CC(=N1)CBr

Description

3-(Bromomethyl)-1-methyl-1H-pyrazole serves as a reactive alkylating agent featuring a bromomethyl group attached to the pyrazole ring. This configuration enables efficient coupling in nucleophilic substitution reactions, particularly useful in synthesizing functionalized heterocycles. The molecule exhibits favorable reactivity under mild conditions and maintains stability during storage.

Application

3-(Bromomethyl)-1-methyl-1H-pyrazole serves as a versatile electrophilic building block for C–C and C–heteroatom bond formation. Its bromomethyl group enables efficient alkylation, Suzuki-Miyaura coupling, and nucleophilic substitution reactions under mild conditions. The pyrazole scaffold provides metabolic stability and hydrogen-bonding capability, making it useful in medicinal chemistry lead optimization. Bench-stable and readily purified by distillation, it functions reliably in multi-step synthesis and API intermediate development.

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅱ
Hazard Statements : H302-H314
Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P304+P340-P330-P363-P405-P501

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Computational Chemistry Data

  • TPSA   17.82
  • LogP   1.315
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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