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Home > Encyclopedia > 3-BROMO-1-METHYL-1H-PYRAZOLO[3,4-B]PYRIDINE

3-BROMO-1-METHYL-1H-PYRAZOLO[3,4-B]PYRIDINE

3-BROMO-1-METHYL-1H-PYRAZOLO[3,4-B]PYRIDINE structure

3-BROMO-1-METHYL-1H-PYRAZOLO[3,4-B]PYRIDINE 

structure
  • CAS No:

    116855-03-9

  • Formula:

    C7H6BrN3

  • Chemical Name:

    3-BROMO-1-METHYL-1H-PYRAZOLO[3,4-B]PYRIDINE

  • Synonyms:

    3-bromo-1-methyl-1H-pyrazolo[3,4-b]pyridine;3-bromo-1-methylpyrazolo[3,4-b]pyridine;1H-Pyrazolo[3,4-b]pyridine, 3-bromo-1-methyl-;NSC127451;SCHEMBL13658230;CTK4B0025;DTXSID10299004;KS-00000S2W;ZINC1715822;MFCD11878034

3-BROMO-1-METHYL-1H-PYRAZOLO[3,4-B]PYRIDINE Basic Attributes

212.049

210.97500

127451

DTXSID10299004

2933990090

Characteristics

30.7

1.9

1.76±0.1 g/cm3(Predicted)

81-82 °C(Solv: methanol (67-56-1))

308.5±22.0 °C(Predicted)

3-BROMO-1-METHYL-1H-PYRAZOLO[3,4-B]PYRIDINE Use and Manufacturing

(100 mg, 0.472 mmol) is dissolved in toluene (5 mL) and tributyl(1-ethoxyvinyl)tin (187 mg, 0.519 mmol) and tetrakis(triphenylphosphine) palladium(0) (54 mg, 0.047 mmol) are added to the solution and the reaction is refluxed for 2 h. Volatiles are evaporated under reduced pressure and the resulting residue is suspended in THE/aqueous 2M HCI 1:1 andstirring is continued for lh. The reaction mixture is basified with Na2CO3 saturated solution, and extracted with ethyl acetate. The organic layer is dried, evaporated and the resulting residue is purified by flash chromatography (eluent 0-100% EtOAc/Cyclohexane) to give the title compound (70 mg, 85 %)UPLC-MS (Method 2): R = 0.78 mmMS (ESI pos): m/z = 176 (M+H)+

Computed Properties

Molecular Weight:212.05
XLogP3:1.9
Hydrogen Bond Acceptor Count:2
Exact Mass:210.97451
Monoisotopic Mass:210.97451
Topological Polar Surface Area:30.7
Heavy Atom Count:11
Complexity:153
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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