No renderable structure data available
C1CC(C(=O)C1)C#NChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 2-oxocyclopentane-1-carbonitrile |
|---|---|
| IUPAC Name | — |
| CAS Number | 138260-51-2 |
| Database ID | 98930 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
2-oxocyclopentane-1-carbonitrile (CAS 138260-51-2) 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 98930
Safety Notice
For professional research and industrial use only. Review the supplier safety data sheet before handling.
Synthesis data
12 reactions · 12 references
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-ae128eeb8f194c508894a0ece85a78ccConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 3,5-Difluoro-aniline (Aldrich Chemicals) (2.6 g, 20.0 mmol), 2-oxocyclopentane carbonitrile (Example 11) (2.2 g, 20.2 mmol), calcium chloride (2.5 g, 22.5 mmol) and T.H.F. were heated under reflux for 24 hours. After cooling the mixture was filtered and the solvent evaporated. Kugelrohr distillation (140° C., 0.3 mmHg) gave the product as pale yellow crystals. were heated under reflux for 24 hours After cooling the mixture was filtered the solvent evaporated Kugelrohr distillation (140° C., 0.3 mmHg)
Source ID: ord-5b845be068f24a1ea0ab8594dd44398dConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 2,5-Difluoro-aniline (2.6 g, 20.0 mmol) (Aldrich Chemicals) cyano-ketone (Example 11) (2.2 g, 20.2 mmol), calcium chloride (2.5 g, 22.5 mmol) and T.H.F. (30 ml) were heated under reflux for 22 hours. After cooling, the mixture was filtered and the solvent evaporated. Kugelrohr distillation (160° C., 0.9 mmHg) gave the produce as white crystals. (30 ml) were heated under reflux for 22 hours After cooling the mixture was filtered the solvent evaporated Kugelrohr distillation (160° C., 0.9 mmHg) gave the produce as white crystals
Source ID: ord-a6b24eeb605840c9abed777ad5ec7a40Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 2,4-Difluoro-aniline (2.6 g, 20.0 mmol) (Aldrich Chemicals) cyano-ketone (Example 11) (2.2 g, 20.2 mmol), calcium chloride (2.5 g, 22.5 mmol) and T.H.F. (30 ml) were heated under reflux for 19 hours. After cooling, the mixture was filtered and the solvent evaporated. Kugelrohr distillation (125° C., 0.25 mmHg) gave the product as pale yellow crystals. (30 ml) were heated under reflux for 19 hours After cooling the mixture was filtered the solvent evaporated Kugelrohr distillation (125° C., 0.25 mmHg)
Source ID: ord-f9b89f23a3994acf846e31d360fb4bd5Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 3-Chloro-aniline (Aldrich Chemicals) (5.1 g, 40.0 mmol), cyano-ketone (Example 11) (4.4 g, 40.4 mmol) and calcium chloride (5.0 g, 45.0 mmol) in T.H.F. (60 ml) were heated under reflux for 17 hours. After cooling, the mixture was filtered and the solvent evaporated. Kugelrohr distillation (150° C., 0.2 mmHg) gave the product as light yellow powder. (60 ml) were heated under reflux for 17 hours After cooling the mixture was filtered the solvent evaporated Kugelrohr distillation (150° C., 0.2 mmHg)
Source ID: ord-168d8f3b5474467f9bbc3b0a28c1b27cConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 4-Bromo-aniline (Aldrich Chemicals) (3.5 g, 20 mmol), cyano-ketone (Example 11) (2.2 g, 20 mmol), calcium chloride (2.5 g, 23 mmol) and T.H.F. (30 ml) were heated under reflux for 7 hours. After being allowed to cool, the mixture was filtered and the solvent evaporated. Kugelrohr distillation (150° C., 0.07 mmHg) gave the product as a brown-grey powder. (30 ml) were heated under reflux for 7 hours to cool the mixture was filtered the solvent evaporated Kugelrohr distillation (150° C., 0.07 mmHg)
Source ID: ord-d147e446509947a89d08c958616866ceConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 4-Fluoro-aniline (Aldrich Chemicals) (2.3 g, 21 mmol), cyano-ketone (Example 11) (2.2 g, 20 mmol), calcium chloride (2.5 g, 23 mmol) and T.H.F. (30 ml) were heated under reflux for 21 hours. After being allowed to cool, the mixture was filtered and the solvent evaporated. Kugelrohr distillation (160° C., 0.4 mm Hg) gave the product as an off-white powder. (30 ml) were heated under reflux for 21 hours to cool the mixture was filtered the solvent evaporated Kugelrohr distillation (160° C., 0.4 mm Hg)
Source ID: ord-b79fefa60f7d47428fa503d0599f1070Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 3-Fluoro-aniline (Aldrich Chemicals) (4.6 g, 41 mmol), cyano-ketone (Example 11) (4.4 g, 40 mmol), calcium chloride (5.0 g, 45 mmol) and T.H.F. (60 ml) were heated under reflux for 17 hours. After being allowed to cool, the mixture was filtered and the solvent evaporated. Kugelrohr distillation (125° C., 0.02 mm Hg) gave the product as a pale yellow powder. (60 ml) were heated under reflux for 17 hours to cool the mixture was filtered the solvent evaporated Kugelrohr distillation (125° C., 0.02 mm Hg)
Source ID: ord-10a3e0eee317467ba0165ba0511f0032Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 2-Fluoro-aniline (Aldrich Chemicals) (2.3 g, 21 mmol), cyanoketone (Example 11) (2.2 g, 20 mmol), calcium chloride (2.5 g, 23 mmol) and T.H.F. (30 ml) were heated under reflux for 24 hours. After being allowed to cool, the mixture was filtered and the solvent evaporated. Kugelrohr distillation (125° C. 0.05 mm Hg) have the product as an off-white power. (30 ml) were heated under reflux for 24 hours to cool the mixture was filtered the solvent evaporated Kugelrohr distillation (125° C. 0.05 mm Hg)
Source ID: ord-a044fa71a9914880ad30ca2c8a233a47Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 4-Chloro-aniline (Aldrich Chemicals) (2.6 g, 20 mmol), cyanoketone (Example 11) (2.2 g, 20 mmol), calcium chloride (2.5 g, 23 mmol) and T.H.F. (30 ml) were heated under reflux for 19 hours. After being allowed to cool, the mixture was filtered and the solvent evaporated. Kugelrohr distillation (160° C., 0.3 mm Hg) gave the product as white crystals. (30 ml) were heated under reflux for 19 hours to cool the mixture was filtered the solvent evaporated Kugelrohr distillation (160° C., 0.3 mm Hg)
Source ID: ord-0e8119df54f74cc3bb3bd44bc430cdf6Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 3,5-Difluoro-aniline (Aldrich Chemicals) (2.6 g, 20.0 mmol), 2-oxocyclopentane carbonitrile (Example 11) (2.2 g, 20.2 mmol), calcium chloride (2.5 g, 22.5 mmol) and T.H.F. were heated under reflux for 24 hours. After cooling the mixture was filtered and the solvent evaporated. Kugelrohr distillation (140° C., 0.3 mmHg) gave the product as pale yellow crystals. were heated under reflux for 24 hours After cooling the mixture was filtered the solvent evaporated Kugelrohr distillation (140° C., 0.3 mmHg)
Source ID: ord-5b845be068f24a1ea0ab8594dd44398dConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 2,5-Difluoro-aniline (2.6 g, 20.0 mmol) (Aldrich Chemicals) cyano-ketone (Example 11) (2.2 g, 20.2 mmol), calcium chloride (2.5 g, 22.5 mmol) and T.H.F. (30 ml) were heated under reflux for 22 hours. After cooling, the mixture was filtered and the solvent evaporated. Kugelrohr distillation (160° C., 0.9 mmHg) gave the produce as white crystals. (30 ml) were heated under reflux for 22 hours After cooling the mixture was filtered the solvent evaporated Kugelrohr distillation (160° C., 0.9 mmHg) gave the produce as white crystals
Source ID: ord-a6b24eeb605840c9abed777ad5ec7a40PubChem References
These sources are listed in the compound's public database record.
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