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Name |
4-Bromo-3-methylpyrazole |
EINECS | 237-456-7 |
CAS No. | 13808-64-5 | Density | 1.723 g/cm3 |
PSA | 28.68000 | LogP | 1.48060 |
Solubility | N/A | Melting Point |
77-79 °C |
Formula | C4H5BrN2 | Boiling Point | 259.9 °C at 760 mmHg |
Molecular Weight | 161.001 | Flash Point | 111 °C |
Transport Information | N/A | Appearance | off-white powder |
Safety | 37/39-26 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Pyrazole,4-bromo-3-methyl- (8CI);4-Bromo-3-methyl-1H-pyrazole;NSC 50563; |
Article Data | 4 |
4-bromo-3-methyl-1-phenylsulphonylpyrazole
4-bromo-3-methyl-1H-pyrazole
Conditions | Yield |
---|---|
With potassium hydroxide In methanol for 1h; Heating; | 83% |
With potassium hydroxide In methanol for 1h; Heating; other 4-bromo-1-phenylsulphonylpyrazoles; | 83% |
3-Methylpyrazole
4-bromo-3-methyl-1H-pyrazole
Conditions | Yield |
---|---|
Stage #1: 3-Methylpyrazole With N-Bromosuccinimide In N,N-dimethyl-formamide at 60℃; Continuous flow reactor; Stage #2: With water; acetic acid In N,N-dimethyl-formamide | 49% |
4-bromo-3-methyl-1H-pyrazole
Conditions | Yield |
---|---|
With water; bromine |
4-bromo-3-methyl-1H-pyrazole
di-tert-butyl dicarbonate
tert-butyl 4-bromo-3-methyl-1H-pyrazole-1-carboxylate
Conditions | Yield |
---|---|
With sodium hydroxide In 1,4-dioxane at 20℃; | 100% |
With sodium carbonate In dichloromethane; water for 2.5h; | |
With sodium carbonate In dichloromethane at 20℃; for 16h; | |
With dmap; triethylamine In acetonitrile at 20℃; | 0.32 g |
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
4-bromo-3-methyl-1H-pyrazole
Conditions | Yield |
---|---|
With tetrabutylammonium tetrafluoroborate In acetonitrile at 45℃; for 10h; Inert atmosphere; Electrochemical reaction; Green chemistry; diastereoselective reaction; | 99% |
9-borabicyclo[3.3.1]nonane dimer
4-bromo-3-methyl-1H-pyrazole
Conditions | Yield |
---|---|
In toluene for 3h; Inert atmosphere; Schlenk technique; Reflux; | 96% |
4-oxanyl methanesulfonate
4-bromo-3-methyl-1H-pyrazole
Conditions | Yield |
---|---|
With caesium carbonate In N,N-dimethyl-formamide at 100℃; for 10h; | 88% |
triisopropylsilyl chloride
4-bromo-3-methyl-1H-pyrazole
Conditions | Yield |
---|---|
With triethylamine In dichloromethane for 72h; Reflux; | 86.1% |
4-bromo-3-methyl-1H-pyrazole
carbon dioxide
methyl iodide
methyl 4-bromo-3-methyl-1H-pyrazole-1-carboxylate
Conditions | Yield |
---|---|
Stage #1: 4-bromo-3-methyl-1H-pyrazole; carbon dioxide With cesium hydroxide; (hydroxido){N,N'-bis(2,6-diisopropylphenyl)imidazol-2-ylidene}copper(I) In tetrahydrofuran at 40℃; under 1125.11 Torr; for 0.204167h; Inert atmosphere; Stage #2: methyl iodide In tetrahydrofuran Inert atmosphere; regioselective reaction; | 85% |
4-bromo-3-methyl-1H-pyrazole
phenylboronic acid
3-Methyl-4-phenyl-1H-pyrazole
Conditions | Yield |
---|---|
With palladium diacetate; potassium carbonate; catacxium A In 1,4-dioxane; water at 100℃; for 12h; Inert atmosphere; | 84% |
The Molecular Structure of 4-Bromo-3-methylpyrazole (CAS NO.13808-64-5):
Empirical Formula: C4H5BrN2
Molecular Weight: 160.9999
IUPAC Name: 4-bromo-5-methyl-1H-pyrazole
Appearance: white to cream-colored powder
Product Categories: Pyrazines;pharmacetical;Building Blocks;Halogenated Heterocycles;Heterocyclic Building Blocks;Pyrazoles;PyrazolesHeterocyclic Building Blocks
Nominal Mass: 160 Da
Average Mass: 160.9999 Da
Monoisotopic Mass: 159.963603 Da
Index of Refraction: 1.584
Molar Refractivity: 31.29 cm3
Molar Volume: 93.4 cm3
Surface Tension: 50.5 dyne/cm
Density: 1.723 g/cm3
Flash Point: 111 °C
Enthalpy of Vaporization: 47.75 kJ/mol
Boiling Point: 259.9 °C at 760 mmHg
Vapour Pressure: 0.0204 mmHg at 25°C
Melting Point: 76.5 °C
log P (octanol-water): 1.500
Atmospheric OH Rate Constant: 2.79E-11 cm3/molecule-sec at 25°C
InChI
InChI=1/C4H5BrN2/c1-3-4(5)2-6-7-3/h2H,1H3,(H,6,7)
Smiles
c1(c(n[nH]c1)C)Br
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 37/39-26
S37/39: Wear suitable gloves and eye/face protection
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
4-Bromo-3-methylpyrazole (CAS NO.13808-64-5) is also called as 4-Bromo-3-methyl-1H-pyrazole ; 3-Methyl-4-bromopyrazole ; 4-Bromo-3-methylpyrazole,97% ; 4-Bromo-3-methylpyrazole 97% ; 1H-pyrazole, 4-bromo-3-methyl- ; 3-Methyl-4-bromo-1h-pyrazole .