No renderable structure data available
FC1=C([H])C([H])=C([H])C([H])=C1C(C#N)=OChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | (2-FLUORO-PHENYL)-OXO-ACETONITRILE |
|---|---|
| IUPAC Name | — |
| CAS Number | 80277-41-4 |
| Database ID | 13119858 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
(2-FLUORO-PHENYL)-OXO-ACETONITRILE (CAS 80277-41-4) 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 13119858
Safety Notice
For professional research and industrial use only. Review the supplier safety data sheet before handling.
Synthesis data
7 reactions · 7 references
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-83ea4f241e004b1099fcec8b2e8dac3dConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-83ea4f241e004b1099fcec8b2e8dac3dConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-83ea4f241e004b1099fcec8b2e8dac3dConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 2-Fluorobenzoyl cyanide was prepared according to the general procedure reported by G. A. Olah et al. [supra]. Under dry conditions, 1.2 mL of 2-fluorobenzoyl chloride (97%, Aldrich) (10 mmol), 26 mL of methylene chloride, freshly distilled from phosphorus pentoxide under nitrogen, and 1.55 mL of trimethylsilyl cyanide (12 mmol) were placed in a 100-mL round bottom flask. To this solution 0.25 mL of tin (IV) chloride (2.1 mmol) was added. On addition of the tin (IV) chloride, the color of the solution changed from yellow to dark brown. The reaction mixture was stirred for 2 hr at room temperature, then quenched with 75 mL of ice-cold water, and finally extracted with two 75-mL portions of methylene chloride. The methylene chloride extracts were combined, washed with two 75-mL portions of ice-cold water, dried with MgSO4, and filtered. The methylene chloride was removed by rotary evaporation to yield a dark brown oil which was purified by Kugelrohr vacuum distillation to yield 0.711 g (47%) of 2-fluorobenzoyl cyanide as a colorless oil: IR (CH2Cl2) (partial) 2225, 1695, 1670, 1610, 1489, 1484, 1457 cm-1. 2-Fluorobenzoyl cyanide was prepared quenched with 75 mL of ice-cold water finally extracted with two 75-mL portions of methylene chloride washed with two 75-mL portions of ice-cold water dried with MgSO4 filtered The methylene chloride was removed by rotary evaporation to yield a dark brown oil which was purified by Kugelrohr vacuum distillation
Source ID: ord-ee5d786c660c42e0a7da0bba90bb20c8Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 2-Fluorobenzoyl cyanide was prepared according to the general procedure reported by G. A. Olah et al. [supra]. Under dry conditions, 1.2 mL of 2-fluorobenzoyl chloride (97%, Aldrich) (10 mmol), 26 mL of methylene chloride, freshly distilled from phosphorus pentoxide under nitrogen, and 1.55 mL of trimethylsilyl cyanide (12 mmol) were placed in a 100-mL round bottom flask. To this solution 0.25 mL of tin (IV) chloride (2.1 mmol) was added. On addition of the tin (IV) chloride, the color of the solution changed from yellow to dark brown. The reaction mixture was stirred for 2 hr at room temperature, then quenched with 75 mL of ice-cold water, and finally extracted with two 75-mL portions of methylene chloride. The methylene chloride extracts were combined, washed with two 75-mL portions of ice-cold water, dried with MgSO4, and filtered. The methylene chloride was removed by rotary evaporation to yield a dark brown oil which was purified by Kugelrohr vacuum distillation to yield 0.711 g (47%) of 2-fluorobenzoyl cyanide as a colorless oil: IR (CH2Cl2) (partial) 2225, 1695, 1670, 1610, 1489, 1484, 1457 cm-1. 2-Fluorobenzoyl cyanide was prepared quenched with 75 mL of ice-cold water finally extracted with two 75-mL portions of methylene chloride washed with two 75-mL portions of ice-cold water dried with MgSO4 filtered The methylene chloride was removed by rotary evaporation to yield a dark brown oil which was purified by Kugelrohr vacuum distillation
Source ID: ord-ee5d786c660c42e0a7da0bba90bb20c8Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 2-Fluorobenzoyl cyanide was prepared according to the general procedure reported by G. A. Olah et al. [supra]. Under dry conditions, 1.2 mL of 2-fluorobenzoyl chloride (97%, Aldrich) (10 mmol), 26 mL of methylene chloride, freshly distilled from phosphorus pentoxide under nitrogen, and 1.55 mL of trimethylsilyl cyanide (12 mmol) were placed in a 100-mL round bottom flask. To this solution 0.25 mL of tin (IV) chloride (2.1 mmol) was added. On addition of the tin (IV) chloride, the color of the solution changed from yellow to dark brown. The reaction mixture was stirred for 2 hr at room temperature, then quenched with 75 mL of ice-cold water, and finally extracted with two 75-mL portions of methylene chloride. The methylene chloride extracts were combined, washed with two 75-mL portions of ice-cold water, dried with MgSO4, and filtered. The methylene chloride was removed by rotary evaporation to yield a dark brown oil which was purified by Kugelrohr vacuum distillation to yield 0.711 g (47%) of 2-fluorobenzoyl cyanide as a colorless oil: IR (CH2Cl2) (partial) 2225, 1695, 1670, 1610, 1489, 1484, 1457 cm-1. 2-Fluorobenzoyl cyanide was prepared quenched with 75 mL of ice-cold water finally extracted with two 75-mL portions of methylene chloride washed with two 75-mL portions of ice-cold water dried with MgSO4 filtered The methylene chloride was removed by rotary evaporation to yield a dark brown oil which was purified by Kugelrohr vacuum distillation
Source ID: ord-8a843327ebca44bc851f122f8732735cConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 2-Fluorobenzoyl cyanide was prepared according to the general procedure reported by G. A. Olah et al. [supra]. Under dry conditions, 1.2 mL of 2-fluorobenzoyl chloride (97%, Aldrich) (10 mmol), 26 mL of methylene chloride, freshly distilled from phosphorus pentoxide under nitrogen, and 1.55 mL of trimethylsilyl cyanide (12 mmol) were placed in a 100-mL round bottom flask. To this solution 0.25 mL of tin (IV) chloride (2.1 mmol) was added. On addition of the tin (IV) chloride, the color of the solution changed from yellow to dark brown. The reaction mixture was stirred for 2 hr at room temperature, then quenched with 75 mL of ice-cold water, and finally extracted with two 75-mL portions of methylene chloride. The methylene chloride extracts were combined, washed with two 75-mL portions of ice-cold water, dried with MgSO4, and filtered. The methylene chloride was removed by rotary evaporation to yield a dark brown oil which was purified by Kugelrohr vacuum distillation to yield 0.711 g (47%) of 2-fluorobenzoyl cyanide as a colorless oil: IR (CH2Cl2) (partial) 2225, 1695, 1670, 1610, 1489, 1484, 1457 cm-1. 2-Fluorobenzoyl cyanide was prepared quenched with 75 mL of ice-cold water finally extracted with two 75-mL portions of methylene chloride washed with two 75-mL portions of ice-cold water dried with MgSO4 filtered The methylene chloride was removed by rotary evaporation to yield a dark brown oil which was purified by Kugelrohr vacuum distillation
Source ID: ord-ee5d786c660c42e0a7da0bba90bb20c8PubChem References
These sources are listed in the compound's public database record.
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