No renderable structure data available
CC(C)C(=O)C(C#N)C1=CC=CC=C1Chemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 4-methyl-3-oxo-2-phenylpentanenitrile |
|---|---|
| IUPAC Name | — |
| CAS Number | 32039-89-7 |
| Database ID | 11217686 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
4-methyl-3-oxo-2-phenylpentanenitrile (CAS 32039-89-7) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
Potential Applications
For professional research and industrial use only
Database ID 11217686
Safety Notice
For professional research and industrial use only. Review the supplier safety data sheet before handling.
Synthesis data
10 reactions · 10 references
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-a48d385aa98d424f91a3d7f848caaa46Conditions: temp:0.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Benzylcyanide (1500 mg, 12.8 mmol) was dissolved in 150 ml dry THF and cooled down to 0° C. The solution was stirred at that temperature while NaH (60% in mineral oil, 663 mg) was added slowly. After the addition was completed, the mixture was stirred at 0° C. for 30 min and then the ice bath was removed and stirring continued at RT for 120 min. Ethyl isobutyrate (1785 mg, 15.4 mmol) was added at once and the reaction mixture heated at 60° C. for 2 h. The THF was removed in vacuo and the residue was then poured into ice-water. HCl 6M was added with stirring until neutral pH was reached. The mixture was extracted with EtOAc, dried over MgSO4 and concentrated in vacuo. The compound was purified by flash chromatography [silica; n-heptane-EtOAc (9:1)] to afford 4-methyl-3-oxo-2-phenyl-pentanenitrile (460 mg, 19%). was added slowly After the addition the ice bath was removed stirring continued at RT for 120 min heated at 60° C. for 2 h The THF was removed in vacuo the residue was then poured into ice-water. HCl 6M was added with stirring until neutral pH The mixture was extracted with EtOAc dried over MgSO4 concentrated in vacuo The compound was purified by flash chromatography [silica; n-heptane-EtOAc (9:1)]
Source ID: ord-7e2b0394085b43ca8bb4bbbecb540d59Conditions: temp:0.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Benzylcyanide (1500 mg, 12.8 mmol) was dissolved in 150 ml dry THF and cooled down to 0° C. The solution was stirred at that temperature while NaH (60% in mineral oil, 663 mg) was added slowly. After the addition was completed, the mixture was stirred at 0° C. for 30 min and then the ice bath was removed and stirring continued at RT for 120 min. Ethyl isobutyrate (1785 mg, 15.4 mmol) was added at once and the reaction mixture heated at 60° C. for 2 h. The THF was removed in vacuo and the residue was then poured into ice-water. HCl 6M was added with stirring until neutral pH was reached. The mixture was extracted with EtOAc, dried over MgSO4 and concentrated in vacuo. The compound was purified by flash chromatography [silica; n-heptane-EtOAc (9:1)] to afford 4-methyl-3-oxo-2-phenyl-pentanenitrile (460 mg, 19%). was added slowly After the addition the ice bath was removed stirring continued at RT for 120 min heated at 60° C. for 2 h The THF was removed in vacuo the residue was then poured into ice-water. HCl 6M was added with stirring until neutral pH The mixture was extracted with EtOAc dried over MgSO4 concentrated in vacuo The compound was purified by flash chromatography [silica; n-heptane-EtOAc (9:1)]
Source ID: ord-2d25907188f04aafad78a7f5592b983dConditions: temp:0.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Benzylcyanide (1500 mg, 12.8 mmol) was dissolved in 150 ml dry THF and cooled down to 0° C. The solution was stirred at that temperature while NaH (60% in mineral oil, 663 mg) was added slowly. After the addition was completed, the mixture was stirred at 0° C. for 30 min and then the ice bath was removed and stirring continued at RT for 120 min. Ethyl isobutyrate (1785 mg, 15.4 mmol) was added at once and the reaction mixture heated at 60° C. for 2 h. The THF was removed in vacuo and the residue was then poured into ice-water. HCl 6M was added with stirring until neutral pH was reached. The mixture was extracted with EtOAc, dried over MgSO4 and concentrated in vacuo. The compound was purified by flash chromatography [silica; n-heptane-EtOAc (9:1)] to afford 4-methyl-3-oxo-2-phenyl-pentanenitrile (460 mg, 19%). was added slowly After the addition the ice bath was removed stirring continued at RT for 120 min heated at 60° C. for 2 h The THF was removed in vacuo the residue was then poured into ice-water. HCl 6M was added with stirring until neutral pH The mixture was extracted with EtOAc dried over MgSO4 concentrated in vacuo The compound was purified by flash chromatography [silica; n-heptane-EtOAc (9:1)]
Source ID: ord-2d25907188f04aafad78a7f5592b983dConditions: temp:0.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Benzylcyanide (1500 mg, 12.8 mmol) was dissolved in 150 ml dry THF and cooled down to 0° C. The solution was stirred at that temperature while NaH (60% in mineral oil, 663 mg) was added slowly. After the addition was completed, the mixture was stirred at 0° C. for 30 min and then the ice bath was removed and stirring continued at RT for 120 min. Ethyl isobutyrate (1785 mg, 15.4 mmol) was added at once and the reaction mixture heated at 60° C. for 2 h. The THF was removed in vacuo and the residue was then poured into ice-water. HCl 6M was added with stirring until neutral pH was reached. The mixture was extracted with EtOAc, dried over MgSO4 and concentrated in vacuo. The compound was purified by flash chromatography [silica; n-heptane-EtOAc (9:1)] to afford 4-methyl-3-oxo-2-phenyl-pentanenitrile (460 mg, 19%). was added slowly After the addition the ice bath was removed stirring continued at RT for 120 min heated at 60° C. for 2 h The THF was removed in vacuo the residue was then poured into ice-water. HCl 6M was added with stirring until neutral pH The mixture was extracted with EtOAc dried over MgSO4 concentrated in vacuo The compound was purified by flash chromatography [silica; n-heptane-EtOAc (9:1)]
Source ID: ord-7e2b0394085b43ca8bb4bbbecb540d59Conditions: temp:0.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Benzylcyanide (1500 mg, 12.8 mmol) was dissolved in 150 ml dry THF and cooled down to 0° C. The solution was stirred at that temperature while NaH (60% in mineral oil, 663 mg) was added slowly. After the addition was completed, the mixture was stirred at 0° C. for 30 min and then the ice bath was removed and stirring continued at RT for 120 min. Ethyl isobutyrate (1785 mg, 15.4 mmol) was added at once and the reaction mixture heated at 60° C. for 2 h. The THF was removed in vacuo and the residue was then poured into ice-water. HCl 6M was added with stirring until neutral pH was reached. The mixture was extracted with EtOAc, dried over MgSO4 and concentrated in vacuo. The compound was purified by flash chromatography [silica; n-heptane-EtOAc (9:1)] to afford 4-methyl-3-oxo-2-phenyl-pentanenitrile (460 mg, 19%). was added slowly After the addition the ice bath was removed stirring continued at RT for 120 min heated at 60° C. for 2 h The THF was removed in vacuo the residue was then poured into ice-water. HCl 6M was added with stirring until neutral pH The mixture was extracted with EtOAc dried over MgSO4 concentrated in vacuo The compound was purified by flash chromatography [silica; n-heptane-EtOAc (9:1)]
Source ID: ord-7e2b0394085b43ca8bb4bbbecb540d59Conditions: temp:0.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Benzylcyanide (1500 mg, 12.8 mmol) was dissolved in 150 ml dry THF and cooled down to 0° C. The solution was stirred at that temperature while NaH (60% in mineral oil, 663 mg) was added slowly. After the addition was completed, the mixture was stirred at 0° C. for 30 min and then the ice bath was removed and stirring continued at RT for 120 min. Ethyl isobutyrate (1785 mg, 15.4 mmol) was added at once and the reaction mixture heated at 60° C. for 2 h. The THF was removed in vacuo and the residue was then poured into ice-water. HCl 6M was added with stirring until neutral pH was reached. The mixture was extracted with EtOAc, dried over MgSO4 and concentrated in vacuo. The compound was purified by flash chromatography [silica; n-heptane-EtOAc (9:1)] to afford 4-methyl-3-oxo-2-phenyl-pentanenitrile (460 mg, 19%). was added slowly After the addition the ice bath was removed stirring continued at RT for 120 min heated at 60° C. for 2 h The THF was removed in vacuo the residue was then poured into ice-water. HCl 6M was added with stirring until neutral pH The mixture was extracted with EtOAc dried over MgSO4 concentrated in vacuo The compound was purified by flash chromatography [silica; n-heptane-EtOAc (9:1)]
Source ID: ord-2d25907188f04aafad78a7f5592b983dConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-a48d385aa98d424f91a3d7f848caaa46Conditions: temp:0.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Benzylcyanide (1500 mg, 12.8 mmol) was dissolved in 150 ml dry THF and cooled down to 0° C. The solution was stirred at that temperature while NaH (60% in mineral oil, 663 mg) was added slowly. After the addition was completed, the mixture was stirred at 0° C. for 30 min and then the ice bath was removed and stirring continued at RT for 120 min. Ethyl isobutyrate (1785 mg, 15.4 mmol) was added at once and the reaction mixture heated at 60° C. for 2 h. The THF was removed in vacuo and the residue was then poured into ice-water. HCl 6M was added with stirring until neutral pH was reached. The mixture was extracted with EtOAc, dried over MgSO4 and concentrated in vacuo. The compound was purified by flash chromatography [silica; n-heptane-EtOAc (9:1)] to afford 4-methyl-3-oxo-2-phenyl-pentanenitrile (460 mg, 19%). was added slowly After the addition the ice bath was removed stirring continued at RT for 120 min heated at 60° C. for 2 h The THF was removed in vacuo the residue was then poured into ice-water. HCl 6M was added with stirring until neutral pH The mixture was extracted with EtOAc dried over MgSO4 concentrated in vacuo The compound was purified by flash chromatography [silica; n-heptane-EtOAc (9:1)]
Source ID: ord-7e2b0394085b43ca8bb4bbbecb540d59Conditions: temp:0.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Benzylcyanide (1500 mg, 12.8 mmol) was dissolved in 150 ml dry THF and cooled down to 0° C. The solution was stirred at that temperature while NaH (60% in mineral oil, 663 mg) was added slowly. After the addition was completed, the mixture was stirred at 0° C. for 30 min and then the ice bath was removed and stirring continued at RT for 120 min. Ethyl isobutyrate (1785 mg, 15.4 mmol) was added at once and the reaction mixture heated at 60° C. for 2 h. The THF was removed in vacuo and the residue was then poured into ice-water. HCl 6M was added with stirring until neutral pH was reached. The mixture was extracted with EtOAc, dried over MgSO4 and concentrated in vacuo. The compound was purified by flash chromatography [silica; n-heptane-EtOAc (9:1)] to afford 4-methyl-3-oxo-2-phenyl-pentanenitrile (460 mg, 19%). was added slowly After the addition the ice bath was removed stirring continued at RT for 120 min heated at 60° C. for 2 h The THF was removed in vacuo the residue was then poured into ice-water. HCl 6M was added with stirring until neutral pH The mixture was extracted with EtOAc dried over MgSO4 concentrated in vacuo The compound was purified by flash chromatography [silica; n-heptane-EtOAc (9:1)]
Source ID: ord-2d25907188f04aafad78a7f5592b983dPubChem References
These sources are listed in the compound's public database record.
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