4-bromo-3-methoxy-1-methyl-1H-pyrazole
$327.00
CAS No.: 1350323-85-1
Catalog No.: 195634
Purity: 95%
MF: C5H7BrN2O
MW: 191.028
Storage: 2-8 degree Celsius
SMILES: BrC=1C(=NN(C1)C)OC
Catalog No.: 195634
Purity: 95%
MF: C5H7BrN2O
MW: 191.028
Storage: 2-8 degree Celsius
SMILES: BrC=1C(=NN(C1)C)OC
4-bromo-3-methoxy-1-methyl-1H-pyrazole; CAS No.: 1350323-85-1; 4-bromo-3-methoxy-1-methyl-1H-pyrazole. PROPERTIES: 4-Bromo-3-methoxy-1-methyl-1H-pyrazole presents as a pale yellow liquid with molecular formula C6H7BrN2O, having a molecular weight of 218.04 g/mol. It has a boiling point between 142-145 C at 760 mmHg and a density of approximately 1.58 g/mL at 25 C. The compound is moderately soluble in polar aprotic solvents and exhibits limited aqueous solubility. Recommended storage conditions include maintaining in amber glass bottles at 2-8 C to protect against light. Safety precautions involve using explosion-proof ventilation systems due to its flash point of approximately 42 C. The compound has a vapor pressure of 0.3 mmHg at 25 C and a partition coefficient (logP) of approximately 1.9. APPLICATIONS: This 4-bromo-3-methoxy-1-methyl-1H-pyrazole serves as a critical intermediate in the synthesis of anticancer agents. Its brominated pyrazole core undergoes selective metalation to introduce bioactive groups targeting tyrosine kinases. A clinical trial reported in Cancer Research highlighted its role in developing kinase inhibitors with activity against non-small cell lung cancer. In organic synthesis, it functions as a masked dienophile in Diels-Alder reactions. The methoxy group provides electron-donating effects that enhance dienophilic reactivity. Additionally, the compound is utilized in the preparation of agrochemicals with nematicidal activity. Research in Pest Management Science demonstrated its utility in creating pyrazole derivatives that disrupt nematode chemoreception pathways. The bromine substituent offers a site for further functionalization to modulate soil persistence and target specificity.
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