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Weight146.189 g/mol
FormulaC10H10O
Hydrogen Acceptors1
Hydrogen Donors0
Aromatic Rings1
Rotatable Bonds2

Benzalacetone (1896-62-4, 122-57-6)

benzylideneacetone  ·  t-PBO  ·  benzylideneacetone, (E)-isomer

Score: #4220 in Chemistry
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Alternate Names

  • benzylideneacetone
  • t-PBO
  • benzylideneacetone, (E)-isomer
  • trans-4-phenyl-3-buten-2-one
  • 4-phenylbutenone
  • 4-phenyl-3-buten-2-one
  • benzylideneacetone, (Z)-isomer
  • SMILES
    CC(=O)C=CC1=CC=CC=C1
  • InChIKey
    BWHOZHOGCMHOBV-UHFFFAOYSA-N

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Synthesis

Acetonitrile  +  Chlorostyrene (Grignard carbonyl)
STYRENE  +  ACETYL CHLORIDE (Heck terminal vinyl)
3-Buten-2-ol, 4-phenyl-, (3Z)-  +  dimethyl sulfide (Corey-Kim oxidation of secondary alcohols)
CID 12492652  +  1-Hydroxy-1,2-benziodoxol-3(1H)-one 1-oxide (Nicolaou IBX dehydrogenation)
Reactant  +  CHLOROBENZENE (Stille)
Synthesis of Benzalacetone ›

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