4-Bromo-1-methyl-5-phenyl-1H-pyrazole, 97

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4-Bromo-1-methyl-5-phenyl-1H-pyrazole, 97 Basic information
Product Name:4-Bromo-1-methyl-5-phenyl-1H-pyrazole, 97
Synonyms:1H-Pyrazole, 4-bromo-1-methyl-5-phenyl-;4-Bromo-1-methyl-5-phenyl-1H-pyrazole, 97
CAS:105994-77-2
MF:C10H9BrN2
MW:237.1
EINECS:
Product Categories:
Mol File:105994-77-2.mol
4-Bromo-1-methyl-5-phenyl-1H-pyrazole, 97 Structure
4-Bromo-1-methyl-5-phenyl-1H-pyrazole, 97 Chemical Properties
Melting point 65-66 °C
Boiling point 155-156 °C(Press: 12 Torr)
density 1.4199 g/cm3(Temp: 56.6 °C)
storage temp. Sealed in dry,Room Temperature
pka0.04±0.10(Predicted)
AppearanceWhite to light yellow Solid
Safety Information
MSDS Information
4-Bromo-1-methyl-5-phenyl-1H-pyrazole, 97 Usage And Synthesis
Synthesis
1-Methyl-5-phenyl-1H-pyrazole

3463-27-2

1-Methyl-3-phenyl-pyrazole

3463-26-1

1-METHYL-3-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID,97%

105994-55-6

4-BROMO-1-METHYL-5-PHENYL-1H-PYRAZOLE, 97

105994-77-2

B. Synthesis of 4-bromo-1-methyl-3-phenyl-1H-pyrazole and 4-bromo-1-methyl-5-phenyl-1H-pyrazole. 1-Methyl-3-phenyl-1H-pyrazole and 1-methyl-5-phenyl-1H-pyrazole (1.0 g, 6.3 mmol) were mixed with N-bromosuccinimide (NBS, 1.1 g, 6.3 mmol) in acetonitrile (25 mL), stirred and heated to 70 °C for 1 h of reaction. After completion of the reaction, the reaction solution was concentrated and the crude product was purified by column chromatography using hexane-ethyl acetate gradient elution (from 100% hexane to 25% ethyl acetate in hexane solution) to afford 4-bromo-1-methyl-3-phenyl-1H-pyrazole (504 mg, 34% yield) and 4-bromo-1-methyl-5-phenyl-1H-pyrazole (295 mg, 20% yield), respectively. ). 1H NMR (400 MHz, DMSO-d6): δ 8.01 (s, 1H), 7.95 (d, 2H), 7.41 (t, 2H), 7.38 (d, 1H), 3.85 (s, 3H); 1H NMR (400 MHz, DMSO-d6): δ 7.63 (s, 1H), 7.50 (m, 5H), 3.77 ( s, 3H).

References[1] Patent: WO2006/102194, 2006, A1. Location in patent: Page/Page column 181
4-Bromo-1-methyl-5-phenyl-1H-pyrazole, 97 Preparation Products And Raw materials
Raw materials1-Methyl-5-phenyl-1H-pyrazole-->1-Methyl-3-phenyl-pyrazole-->N-Bromosuccinimide-->Acetonitrile
Tag:4-Bromo-1-methyl-5-phenyl-1H-pyrazole, 97(105994-77-2) Related Product Information
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