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Home > Encyclopedia > Ethyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate

Ethyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate

Ethyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate structure

Ethyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate 

structure
  • CAS No:

    6076-14-8

  • Formula:

    C7H9BrN2O2

  • Chemical Name:

    Ethyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate

  • Synonyms:

    ethyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate;Ethyl 4-bromo-3-methyl-1H-pyrazole-5-carboxylate;1H-Pyrazole-3-carboxylic acid, 4-bromo-5-methyl-, ethyl ester;Ethyl 4-bromo-5-methylpyrazole-3-carboxylate;Ethyl-4-bromo-5-methyl-1H-pyrazole-3-carboxylate;SCHEMBL3078972;SCHEMBL15230490;CTK8C1607;KS-00001PIF;DTXSID10346885

Ethyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate Basic Attributes

233

231.984726

DTXSID10346885

2933199090

Characteristics

55

1.9

1.6±0.1 g/cm3

103-104 °C

343.0±37.0°C at 760 mmHg

161.2±26.5 °C

1.559

Ethyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate Use and Manufacturing

A mixture of ethyl 5-methyl-1H-pyrazole-3-carboxylate (4.0 g, 25.95 mmol) and NBS (5.08 g, 28.54 mmol) in N, N-dimethylformamide (15 mL) was stirred at room temperature for 16 h. The mixture was taken up in EtOAc (200 mL) and the organics were washed with saturated brine solution. The organics were then separated and dried (Na

Computed Properties

Molecular Weight:233.06
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:231.98474
Monoisotopic Mass:231.98474
Topological Polar Surface Area:55
Heavy Atom Count:12
Complexity:177
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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