3-Bromo-1,5-dimethyl-1H-pyrazole
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3-Bromo-1,5-dimethyl-1H-pyrazole
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CAS No:
5744-80-9
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Formula:
C5H7BrN2
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Chemical Name:
3-Bromo-1,5-dimethyl-1H-pyrazole
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Synonyms:
1H-Pyrazole,3-bromo-1,5-dimethyl-;Pyrazole,3-bromo-1,5-dimethyl-;3-Bromo-1,5-dimethyl-1H-pyrazole;3-Bromo-1,5-dimethylpyrazole
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CAS No:
Safety Information
26-36/37/39
P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, P501
H314
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
3-Bromo-1,5-dimethyl-1H-pyrazole Use and Manufacturing
To a solution of 23 (11.9 g, 50 mmol) in THF (150 mL) was added n-BuLi (22 mL, 55 mmol, 2.5M in hexane) at −78 °C. After being stirred at −78 °C for 0.5 h under argon, iodomethane (8.9 g, 62.5 mmol) was added to the reaction mixture. The mixture was stirred at room temperature for 10 h under argon. To the mixture was added H2O, and extraction was done twice with EtOAc. The organic layer was washed with brine, dried over anhydrous sodium sulfate, and the solvent was evaporated under reduced pressure. The residue was purified by silicagel column chromatography (EtOAc/hexane=0:10 to 1:2) to give 19c(7.7 g, 88percent) as a pale yellow oil. MS (ESI) m/z: 174.8 [M+H]+.
Computed Properties
Molecular Weight:175.03
XLogP3:1.7
Hydrogen Bond Acceptor Count:1
Exact Mass:173.97926
Monoisotopic Mass:173.97926
Topological Polar Surface Area:17.8
Heavy Atom Count:8
Complexity:86.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Bromo-1,5-dimethyl-1H-pyrazole
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