| Identification | More | [Name]
4-Bromobenzoylacetonitrile | [CAS]
4592-94-3 | [Synonyms]
3-(4'-BROMOPHENYL)-3-OXOPROPANENITRILE
3-(4-BROMOPHENYL)-3-OXOPROPANENITRILE
4-BROMOBENZOYLACETONITRILE
BUTTPARK 35\09-90
Benzenepropanenitrile, 4-bromo-b-oxo-
3-(4-Bromophenyl)-3-oxopropanenitrile, 4-Bromo-β-oxo-benzenepropanenitrile, p-Bromobenzoylacetonitrile | [Molecular Formula]
C9H6BrNO | [MDL Number]
MFCD00996063 | [Molecular Weight]
224.05 | [MOL File]
4592-94-3.mol |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
3 | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
2926907090 |
| Hazard Information | Back Directory | [Uses]
4-Bromobenzoylacetonitrile is a useful research chemical used in the preparation of mechanistic studies, and fluorescence of naphtho[1,8-bc]pyrans via rhodium-catalyzed cascade oxidative annulation of benzoylacetonitriles with internal alkynes. | [Synthesis]
4-Bromobenzoylacetonitrile can be prepared from 3-bromobenzoic acid as a reaction material, the intermediate 3-bromobenzoic acid methyl ester is prepared first, and 4-bromobenzoylacetonitrile is generated under the action of sodium cyanide.
&n | [Purification Methods]
The nitrile is purified by dissolving in slightly alkaline H2O (charcoal), filtering and acidifying with HCl to give colourless needles (m 162-163o). It recrystallises from EtOH. With Me2SO4/KOH at 130o it gives 4-bromo-methoxycinnamylnitrile m 58.5-59.5o (from high boiling pet ether) [Fuson & Wolf J Am Chem Soc 61 1940 1939, Grathaus & Dains J Am Chem Soc 58 1334 1936]. [Beilstein 10 III 2998.] |
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J & K SCIENTIFIC LTD.
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Energy Chemical
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Sigma-Aldrich
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