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CCCCC[N+](=O)[O-]Chemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 1-nitropentane |
|---|---|
| IUPAC Name | — |
| CAS Number | 628-05-7 |
| Database ID | 220639 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
1-nitropentane (CAS 628-05-7) 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 220639
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-ecc7e6192f1445ab9bf1aa72668a4495Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 3-bromo-4-cyclohexyloxy-benzaldehyde (13 mmol, 3.7 g), 1-nitro-pentane (19.6 mmol, 2.3 g) and n-butyl amine (2.6 mmol, 0.19 g) were dissolved in toluene (5 mL) and refluxed for 48 h. The reaction mixture was cooled, filtered and evaporated the solvent and purified by column chromatography using 2% ethyl acetate in hexane as an eluents to provide 2-bromo-1-cyclohexyloxy-4-((E)-2-nitro-hex-1-enyl)-benzene (3.5 g). refluxed for 48 h The reaction mixture was cooled filtered evaporated the solvent purified by column chromatography
Source ID: ord-4796f6d0863f46bba004cd585a488ad3Conditions: temp:60.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a stirred solution of 1-nitropentane (1.0 g, 8.5 mmol) and tri-fluoroacetaldehyde ethyl hemiacetal (1.2 mL, 8.5 mL) was added potassium carbonate (K2CO3) (0.06 g, 0.43 mmol). The reaction mixture was heated at 60° C. under Ar for 3 h. The mixture was cooled to R.T., then taken up in EA (50 mL). The organic layer was washed with 1N HCl (2×10 mL), sat. NaCl (2×10 mL), dried (MgSO4), filtered and concentrated to give (2SR)-(3SR)-3-nitro-1,1,1-trifluoro-2-heptanol as a crude oil (1.7 g, 93%): 1H NMR (CDCl3, 300 MHz) δ 0.91 (t, 3H, J=7.2 Hz), 1.24-1.43 (m, 4H), 2.04-2.11 (m, 2H), 4.08-4.77 (m, 3H) ppm. The mixture was cooled to R.T. The organic layer was washed with 1N HCl (2×10 mL), sat. NaCl (2×10 mL) dried (MgSO4) filtered concentrated
Source ID: ord-34cdca96d3b1422d98e56b48248393e2Conditions: temp:60.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a stirred solution of 1-nitropentane (1.0 g, 8.5 mmol) and trifluoroacetaldehyde ethyl hemiacetal (1.2 mL, 8.5 mL) was added potassium carbonate (K2CO3) (0.06 g, 0.43 mmol). The reaction mixture was heated at 60° C. under Ar for 3 h. The mixture was cooled to R.T., then taken up in EA (50 mL). The organic layer was washed with 1N HCl (2×10 mL), sat. NaCl (2×10 mL), dried (MgSO4), filtered and concentrated to give (2SR)-(3SR)-3-nitro-1,1,1-trifluoro-2-heptanol as a crude oil (1.7 g, 93%): 1H NMR (CDCl3, 300 MHz) δ 0.91 (t, 3 H, J=7.2 Hz), 1.24-1.43 (m, 4 H), 2.04-2.11 (m, 2 H), 4.08-4.77 (m, 3 H) ppm. The mixture was cooled to R.T. The organic layer was washed with 1N HCl (2×10 mL), sat. NaCl (2×10 mL) dried (MgSO4) filtered concentrated
Source ID: ord-c02b63a371e6407b9ca82cc53cf071c9Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-ecc7e6192f1445ab9bf1aa72668a4495Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-ecc7e6192f1445ab9bf1aa72668a4495Conditions: temp:60.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a stirred solution of 1-nitropentane (1.0 g, 8.5 mmol) and trifluoroacetaldehyde ethyl hemiacetal (1.2 mL, 8.5 mL) was added potassium carbonate (K2CO3 ) (0.06 g, 0.43 mmol). The reaction mixture was heated at 60° C. under Ar for 3 h. The mixture was cooled to R.T., then taken up in EA (50 mL). The organic layer was washed with 1 N HCl (2×10 mL), sat. NaCl (2×10 mL), dried (MgSO4), filtered and concentrated to give (2SR)-(3SR)-3-nitro-1,1,1-trifluoro-2-heptanol as a crude oil (1.7 g, 93%): 1H NMR (CDCl3, 300 MHz) δ 0.91 (t, 3H, J=7.2 Hz), 1.24-1.43 (m, 4H), 2.04-2.11 (m, 2H), 4.08-4.77 (m, 3H) ppm. The mixture was cooled to R.T. The organic layer was washed with 1 N HCl (2×10 mL), sat. NaCl (2×10 mL) dried (MgSO4) filtered concentrated
Source ID: ord-f8fe49a8a14d4a05aa612af401c856a0Conditions: temp:60.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a stirred solution of 1-nitropentane (1.0 g, 8.5 mmol) and trifluoroacetaldehyde ethyl hemiacetal (1.2 mL, 8.5 mL) was added potassium carbonate (K2CO3 ) (0.06 g, 0.43 mmol). The reaction mixture was heated at 60° C. under Ar for 3 h. The mixture was cooled to R.T., then taken up in EA (50 mL). The organic layer was washed with 1 N HCl (2×10 mL), sat. NaCl (2×10 mL), dried (MgSO4), filtered and concentrated to give (2SR)-(3SR)-3-nitro-1,1,1-trifluoro-2-heptanol as a crude oil (1.7 g, 93%): 1H NMR (CDCl3, 300 MHz) δ 0.91 (t, 3H, J=7.2 Hz), 1.24-1.43 (m, 4H), 2.04-2.11 (m, 2H), 4.08-4.77 (m, 3H) ppm. The mixture was cooled to R.T. The organic layer was washed with 1 N HCl (2×10 mL), sat. NaCl (2×10 mL) dried (MgSO4) filtered concentrated
Source ID: ord-f8fe49a8a14d4a05aa612af401c856a0Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 6-Phenylhexanoic acid (0.100 g, 0.52 mmol) and CDI (0.169 g, 1.04 mmol) were added together and then reacted with nitropentane (0.091 g, 0.78 mmol) and DBU (0.198 g, 1.30 mmol) according to the general procedure. Purification by column chromatography gave 0.049 g (32%) as a yellow oil: 1H NMR (400 MHz, CDCl3) δ 7.28 (m, 2H), 7.17 (m, 3H), 5.10 (dd, J=4.4, 10.0 Hz, 1H), 2.61 (m, 4H), 1.63 (m, 6H), 1.35 (m, 6H) 0.92 (t, J=6.8 Hz, 3H) ppm; 13C NMR (100 MHz, CDCl3) δ 199.5, 142.5, 128.6, 128.5, 126.0, 94.5, 39.5, 35.9, 31.3, 29.6, 28.7, 28.1, 23.3, 22.2, 13.9 ppm; IR νmax (cm−1) 3027, 2931, 2859, 1731, 1559, 1454, 1363, 1030, 748, 700; HRMS (FAB) calcd for C17H25NO3 (MNa+) 314.1727, found 314.1722. Purification by column chromatography gave 0.049 g (32%) as a yellow oil
Source ID: ord-376bb607a3d74aca9667b45df8d90865Conditions: temp:60.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a stirred solution of 1-nitropentane (1.0 g, 8.5 mmol) and trifluoroacetaldehyde ethyl hemiacetal (1.2 mL, 8.5 mL) was added potassium carbonate (K2CO3) (0.06 g, 0.43 mmol). The reaction mixture was heated at 60° C. under Ar for 3 h. The mixture was cooled to R.T., then taken up in EA (50 mL). The organic layer was washed with 1N HCl (2×10 mL), sat. NaCl. (2×10 mL), dried (MgSO4), filtered and concentrated to give (2SR)-(3SR)-3-nitro-1,1,1-trifluoro-2-heptanol as a crude oil (1.7 g, 3%): 1H NMR (CDCl3, 300 MHz) δ 0.91 (t, 3H, J=7.2 Hz), 1.24-1.43 (m, 4H), 2.04-2.11 (m, 2H), 4.08-4.77 (m, 3H) ppm. The mixture was cooled to R.T. The organic layer was washed with 1N HCl (2×10 mL), sat. NaCl (2×10 mL), dried (MgSO4) filtered concentrated
Source ID: ord-682272204b5e4052b94ca3d626c1278aConditions: temp:60.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a stirred solution of 1-nitropentane (1.0 g, 8.5 mmol) and trifluoroacetaldehyde ethyl hemiacetal (1.2 mL, 8.5 mL) was added potassium carbonate (K2CO3) (0.06 g, 0.43 mmol). The reaction mixture was heated at 60° C. under Ar for 3 h. The mixture was cooled to R.T., then taken up in EA (50 mL). The organic layer was washed with 1N HCl (2×10 mL), sat. NaCl. (2×10 mL), dried (MgSO4), filtered and concentrated to give (2SR)-(3SR)-3-nitro-1,1,1-trifluoro-2-heptanol as a crude oil (1.7 g, 3%): 1H NMR (CDCl3, 300 MHz) δ 0.91 (t, 3H, J=7.2 Hz), 1.24-1.43 (m, 4H), 2.04-2.11 (m, 2H), 4.08-4.77 (m, 3H) ppm. The mixture was cooled to R.T. The organic layer was washed with 1N HCl (2×10 mL), sat. NaCl (2×10 mL), dried (MgSO4) filtered concentrated
Source ID: ord-682272204b5e4052b94ca3d626c1278aConditions: temp:60.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a stirred solution of 1-nitropentane (1.0 g, 8.5 mmol) and trifluoroacetaldehyde ethyl hemiacetal (1.2 mL, 8.5 mL) was added potassium carbonate (K2CO3 ) (0.06 g, 0.43 mmol). The reaction mixture was heated at 60° C. under Ar for 3 h. The mixture was cooled to R.T., then taken up in EA (50 mL). The organic layer was washed with 1 N HCl (2×10 mL), sat. NaCl (2×10 mL), dried (MgSO4), filtered and concentrated to give (2SR)-(3SR)-3-nitro-1,1,1-trifluoro-2-heptanol as a crude oil (1.7 g, 93%): 1H NMR (CDCl3, 300 MHz) δ0.91 (t, 3H, J=7.2 Hz), 1.24-1.43 (m, 4H), 2.04-2.11 (m, 2H), 4.08-4.77 (m, 3H) ppm. The mixture was cooled to R.T. The organic layer was washed with 1 N HCl (2×10 mL), sat. NaCl (2×10 mL) dried (MgSO4) filtered concentrated
Source ID: ord-0d5051b36cf5483880ca873ee7801bb9PubChem References
These sources are listed in the compound's public database record.
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