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Home > Encyclopedia > 1-(4-BROMOPHENYL)-2-NITROPROPENE

1-(4-BROMOPHENYL)-2-NITROPROPENE

1-(4-BROMOPHENYL)-2-NITROPROPENE structure

1-(4-BROMOPHENYL)-2-NITROPROPENE 

structure
  • CAS No:

    131981-75-4

  • Formula:

    C9H8BrNO2

  • Chemical Name:

    1-(4-BROMOPHENYL)-2-NITROPROPENE

  • Synonyms:

    1-(4-BROMOPHENYL)-2-NITROPROPENE;4'-BROMO-BETA-METHYL-BETA-NITROSTYRENE;(E)-1-bromo-4-(2-nitroprop-1-en-1-yl)benzene;1-bromo-4-[(1E)-2-nitroprop-1-en-1-yl]benzene

1-(4-BROMOPHENYL)-2-NITROPROPENE Basic Attributes

242.07

240.974

Characteristics

45.8

3.2

1.520±0.06 g/cm3(Predicted)

93-95 °C(Solv: methanol (67-56-1))

322.9±17.0 °C(Predicted)

1-(4-BROMOPHENYL)-2-NITROPROPENE Use and Manufacturing

General procedure: To a solution of the appropriate benzaldehyde (3.6 mmol) in glacial acetic acid (4 mL) was added the nitroalkane (7.2mmol) followed by cyclohexylamine (3.6 mmol, 0.4 mL). The reaction mixture was heated under microwave irradiation at 120 °C for 30 min. After cooling, water (10 mL) was added to the reaction and it was allowed to stand. The precipitated nitroethene was isolated by filtration. The filtrate was further diluted with water (20 mL) and extracted with dichloromethane (3 x 10 mL). The organic phases were combined and washed with saturated aqueous NaHCO3 (3 x10 mL). The solution was dried over anhydrous Na2SO4, filtered and all solvent removed in vacuo, to give an oil which was purified by flash column chromatography over silica gel (eluent: dichloromethane/hexane) and recrystallised from ethanol.Preparation 37

Computed Properties

Molecular Weight:242.07
XLogP3:3.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:240.97384
Monoisotopic Mass:240.97384
Topological Polar Surface Area:45.8
Heavy Atom Count:13
Complexity:214
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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