1-(2-BroMo-5-chlorophenyl)-3-Methyl-1H-pyrazole

Product Name: 1-(2-BroMo-5-chlorophenyl)-3-Methyl-1H-pyrazole
CAS No.: 1125828-26-3
Chemical Name: 1-(2-BroMo-5-chlorophenyl)-3-Methyl-1H-pyrazole
Synonyms: EOS-61313;1-(2-BroMo-5-chlorophenyl)-3-Methyl-1H-pyrazole;1H-Pyrazole, 1-(2-bromo-5-chlorophenyl)-3-methyl-
CBNumber: CB62616773
Molecular Formula: C10H8BrClN2
Formula Weight: 271.54
MOL File: 1125828-26-3.mol

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1-(2-BroMo-5-chlorophenyl)-3-Methyl-1H-pyrazole Property

Boiling point:: 344.8±37.0 °C(Predicted)
Density: 1.56±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 0.02±0.12(Predicted)

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

TRC

Product number: B821043
Product name: 1-(2-Bromo-5-chlorophenyl)-3-methyl-1H-pyrazole
Packaging: 100mg
Price: $60
Updated: 2021/12/16

TRC

Product number: B821043
Product name: 1-(2-Bromo-5-chlorophenyl)-3-methyl-1H-pyrazole
Packaging: 500mg
Price: $75
Updated: 2021/12/16

AK Scientific

Product number: 3196DC
Product name: 1-(2-Bromo-5-chlorophenyl)-3-methyl-1h-pyrazole
Packaging: 5g
Price: $91
Updated: 2021/12/16

Ambeed

Product number: A101758
Product name: 1-(2-Bromo-5-chlorophenyl)-3-methyl-1H-pyrazole
Purity: 95+%
Packaging: 1g
Price: $8
Updated: 2021/12/16

Ambeed

Product number: A101758
Product name: 1-(2-Bromo-5-chlorophenyl)-3-methyl-1H-pyrazole
Purity: 95+%
Packaging: 5g
Price: $23
Updated: 2021/12/16

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1-(2-BroMo-5-chlorophenyl)-3-Methyl-1H-pyrazole Chemical Properties,Usage,Production

Synthesis

1453-58-3

1996-29-8

1125828-26-3

1125828-28-5

Potassium tert-butoxide (Aldrich, 95%, 84.6 g, 0.716 mol) and DMSO (400 mL) were added to a 3L three-necked round-bottomed flask fitted with a mechanical stirrer, a temperature controller and a nitrogen inlet. The solution was stirred for 15 min at room temperature. To this solution, 3-methylpyrazole (59 g, 0.719 mol) was added and then washed with DMSO (50 mL). The resulting orange-colored turbid solution was stirred for 15 min, 1-bromo-4-chloro-2-fluorobenzene (100 g, 0.477 mol) was added, and then washed with DMSO (50 mL). The reaction mixture was heated to 50 °C and kept for 5 hours. After cooling to room temperature, the reaction mixture was diluted with MTBE (750 mL) and water (500 mL) was added to give a brown turbid mixture. After stirring for 15 min, the organic layer was separated and washed sequentially with 1N HCl (250 mL), brine (250 mL) and water (250 mL). The organic layer was analyzed by GC (>99% conversion, 83% and 17% yield of 1-(2-bromo-5-chlorophenyl)-3-methyl-1H-pyrazole and 1-(2-bromo-5-chlorophenyl)-5-methyl-1H-pyrazole, respectively). The MTBE solution was concentrated under vacuum to about 200 mL (KF showed 0.737% water). THF (500 mL) was added and concentrated to about 200 mL (KF = 0.158%). The THF addition and concentration steps were repeated to obtain a solution of ~200mL (KF=0.023%), which was used directly in the next step. Analytical samples of compounds 3 and 4 were purified and characterized by column chromatography: compound 3: white crystals; melting point: 76 °C (DSC onset temperature). 1H NMR (400 MHz, CDCl3) δ 7.80 (1H, d, J=2.3 Hz), 7.61 (1H, d, J=8.6 Hz), 7.58 (1H, d, J=2.5 Hz), 7.22 (1H, dd, J=8.6,2.6Hz), 6.27 (1H, d, J=2.5Hz), 2.38 (3H, s); 13C NMR (100MHz, CDCl3) δ 150.8, 140.6, 134.6, 134.1, 132.0, 129.0, 128.2, 115.4, 107.0, 13.6. Compound 4: white crystals; 1H NMR (400 MHz, CDCl3) δ 7.65 (1H, d, J=8.6 Hz), 7.62 (1H, d, J=1.5 Hz), 7.43 (1H, d, J=2.5 Hz), 7.35 (1H, dd, J=8.6,2.2 Hz), 6.21 (1H, s), 2.19 (3H. s); 13C NMR (100 MHz, CDCl3) δ 140.6, 140.2, 140.0, 134.1, 133.9, 130.8, 130.2, 120.7, 105.9, 11.4.

References

[1] Patent: US2009/62540, 2009, A1. Location in patent: Page/Page column 6-7
[2] Patent: US2009/88447, 2009, A1. Location in patent: Page/Page column 4
[3] Patent: WO2015/35113, 2015, A1. Location in patent: Page/Page column 71

1-(2-BroMo-5-chlorophenyl)-3-Methyl-1H-pyrazole Preparation Products And Raw materials

Raw materials

Preparation Products

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1-(2-BroMo-5-chlorophenyl)-3-Methyl-1H-pyrazole Suppliers

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