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Thermo Scientific Chemicals
Benzoylacetonitrile, 98+%
CAS: 614-16-4 | C9H7NO | 145.16 g/mol
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化學識別
CAS614-16-4
IUPAC Name3-oxo-3-phenylpropanenitrile
Molecular FormulaC9H7NO
InChI KeyZJRCIQAMTAINCB-UHFFFAOYSA-N
SMILESO=C(CC#N)C1=CC=CC=C1
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規格
規格表
規格表Appearance (Color)White to cream to pale brown
Assay (GC)≥98.0%
Melting Point (clear melt)78.0-84.0?C
FormCrystals or powder or crystalline powder
Benzoylacetonitrile is used to produce 2-benzoyl-3-furan-2-yl-acrylonitrile. It is also used in the synthesis of substituted naphtho[1,8-bc]pyrans and as building block in the preparation of 4H-pyrans, 2-pyridones, furans and carbocyclics. It is an active methylene compound, useful in heterocyclic synthesis, e.g. polyfunctional pyridines and pyrimidines.
This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.
Applications
Benzoylacetonitrile is used to produce 2-benzoyl-3-furan-2-yl-acrylonitrile. It is also used in the synthesis of substituted naphtho[1,8-bc]pyrans and as building block in the preparation of 4H-pyrans, 2-pyridones, furans and carbocyclics. It is an active methylene compound, useful in heterocyclic synthesis, e.g. polyfunctional pyridines and pyrimidines.
Solubility
Slightly soluble in water.
Notes
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Benzoylacetonitrile is used to produce 2-benzoyl-3-furan-2-yl-acrylonitrile. It is also used in the synthesis of substituted naphtho[1,8-bc]pyrans and as building block in the preparation of 4H-pyrans, 2-pyridones, furans and carbocyclics. It is an active methylene compound, useful in heterocyclic synthesis, e.g. polyfunctional pyridines and pyrimidines.
Solubility
Slightly soluble in water.
Notes
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
RUO – Research Use Only
General References:
- L P Davies.; S C Chow.; J H Skerritt.; D J Brown.; G A Johnston. Pyrazolo[3,4-d]pyrimidines as adenosine antagonists.. Life Sciences. 1984, 34 (22), 2117-2128.
- Tarek S. Mansour. Hunig's base-magnesium chloride mediated carbon alkylation and oxygen acylation of benzoylacetonitrile. Tetrahedron Letters. 1988, 29 (28), 3437-3440.
- Active methylene compound, useful in heterocyclic synthesis, e.g. polyfunctional pyridines and pyrimidines: Synthesis, 775 (1989). Reaction with tosic anhydride, followed by diethyl aminomalonate provides a short, facile synthesis of 3-aminopyrrole-2-carboxylates: J. Org. Chem., 65, 2603 (2000):