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C1=CC(=C(C=C1F)F)CCCNChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 3-(2,4-difluorophenyl)propan-1-amine |
|---|---|
| IUPAC Name | — |
| CAS Number | 377084-64-5 |
| Database ID | 22669139 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
3-(2,4-difluorophenyl)propan-1-amine (CAS 377084-64-5) 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 22669139
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-f57a4a65ef7749109bd5aea123df75acConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-3e8758bc3bad469d8d190a39cae0fd6fConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-f57a4a65ef7749109bd5aea123df75acConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-f57a4a65ef7749109bd5aea123df75acConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Coupling of ketone 5 and 3-(2,4-difluorophenyl)-1-propylamine, using the method given in Example 1, gave (a) 6-{trans-4-[3-(2,4-difluorophenyl)-propylamino]-cyclohexyl}-3H-benzoxazol-2-one and (0.75 g, 37%), isolated as the HCl salt: 1H NMR (500 MHz, DMSO-d6): δ 11.49 (s, 1H), 8.84 (br s, 2H), 7.40 (ddd, J=9, 9, 7 Hz, 1H), 7.22-7.18 (m, 2H), 7.05 (ddd, J=8, 8, 2 Hz, 1H), 7.01 (dd, J=8, 1 Hz, 1H), 6.99 (d, J=8 Hz, 1H), 3.11-3.02 (m, 1H), 2.98-2.92 (m, 2H), 2.70 (t, J=8 Hz, 2H), 2.56-2.49 (m, 1H), 2.18-2.11 (m, 2H), 1.96-1.86 (m, 4H), 1.51 (m, 4H), and
Source ID: ord-995a0a7e13564dd1b4cf5d15df04449dConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Coupling of ketone 5 and 3-(2,4-difluorophenyl)-1-propylamine, using the method given in Example 1, gave (a) 6-{trans-4-[3-(2,4-difluorophenyl)-propylamino]-cyclohexyl}-3H-benzoxazol-2-one and (0.75 g, 37%), isolated as the HCl salt: 1H NMR (500 MHz, DMSO-d6): δ 11.49 (s, 1H), 8.84 (br s, 2H), 7.40 (ddd, J=9, 9, 7 Hz, 1H), 7.22-7.18 (m, 2H), 7.05 (ddd, J=8, 8, 2 Hz, 1H), 7.01 (dd, J=8, 1 Hz, 1H), 6.99 (d, J=8 Hz, 1H), 3.11-3.02 (m, 1H), 2.98-2.92 (m, 2H), 2.70 (t, J=8 Hz, 2H), 2.56-2.49 (m, 1H), 2.18-2.11 (m, 2H), 1.96-1.86 (m, 4H), 1.51 (m, 4H), and
Source ID: ord-995a0a7e13564dd1b4cf5d15df04449dConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 17.1 g (0.10 mol) of 3-(2,4-difluorophenyl)propylamine are heated at 260° C. for 2 hours in an autoclave with 13.2 g (0.10 mol) of 2,4-dimethoxytetrahydrofuran. The reaction mixture is cooled and then purified by vacuum distillation. 10.6 g (48% of theory) of a colourless oil which boils at 80° C. and 0.2 mbar or 146°-147° C. and 15 mbar are obtained. The reaction mixture is cooled purified by vacuum distillation 10.6 g (48% of theory) of a colourless oil which boils at 80° C. and 0.2 mbar or 146°-147° C. and 15 mbar are obtained
Source ID: ord-54f1e1a3b3494f0d8649e77445d4fe39Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 33.4 g (0.20 mol) of 3-(2,4-difluorophenyl)propionitrile are dissolved in 200 ml of ethanol and, after 2.8 g of Raney nickel in ethanol have been added and after 34 g (2.0 mol) of ammonia gas have been injected, are hydrogenated using hydrogen gas in a pressurized reactor at 75°-80° C. The take-up of hydrogen is complete after about 3 hours. The reaction mixture is cooled, decompressed and filtered and then freed from solvent on a vacuum rotary evaporator. The resultant oil is subjected to fractional distillation at 89°-90° C. in vacuo (13 mbar). 26.0 g (76% of theory) of a colourless oil are obtained. at 75°-80° C The reaction mixture is cooled filtered freed from solvent on a vacuum rotary evaporator The resultant oil is subjected to fractional distillation at 89°-90° C. in vacuo (13 mbar) 26.0 g (76% of theory) of a colourless oil are obtained
Source ID: ord-057595c8470e4e1b9924399ecaee847eConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 33.4 g (0.20 mol) of 3-(2,4-difluorophenyl)propionitrile are dissolved in 200 ml of ethanol and, after 2.8 g of Raney nickel in ethanol have been added and after 34 g (2.0 mol) of ammonia gas have been injected, are hydrogenated using hydrogen gas in a pressurized reactor at 75°-80° C. The take-up of hydrogen is complete after about 3 hours. The reaction mixture is cooled, decompressed and filtered and then freed from solvent on a vacuum rotary evaporator. The resultant oil is subjected to fractional distillation at 89°-90° C. in vacuo (13 mbar). 26.0 g (76% of theory) of a colourless oil are obtained. at 75°-80° C The reaction mixture is cooled filtered freed from solvent on a vacuum rotary evaporator The resultant oil is subjected to fractional distillation at 89°-90° C. in vacuo (13 mbar) 26.0 g (76% of theory) of a colourless oil are obtained
Source ID: ord-057595c8470e4e1b9924399ecaee847eConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Coupling of ketone 5 and 3-(2,4-difluorophenyl)-1-propylamine, using the method given in Example 1, gave (a) 6-{trans-4-[3-(2,4-difluorophenyl)-propylamino]-cyclohexyl}-3H-benzoxazol-2-one and (0.75 g, 37%), isolated as the HCl salt: 1H NMR (500 MHz, DMSO-d6): δ 11.49 (s, 1H), 8.84 (br s, 2H), 7.40 (ddd, J=9, 9, 7 Hz, 1H), 7.22-7.18 (m, 2H), 7.05 (ddd, J=8, 8, 2 Hz, 1H), 7.01 (dd, J=8, 1 Hz, 1H), 6.99 (d, J=8 Hz, 1H), 3.11-3.02 (m, 1H), 2.98-2.92 (m, 2H), 2.70 (t, J=8 Hz, 2H), 2.56-2.49 (m, 1H), 2.18-2.11 (m, 2H), 1.96-1.86 (m, 4H), 1.51 (m, 4H), and
Source ID: ord-995a0a7e13564dd1b4cf5d15df04449dConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 17.1 g (0.10 mol) of 3-(2,4-difluorophenyl)propylamine are heated at 260° C. for 2 hours in an autoclave with 13.2 g (0.10 mol) of 2,4-dimethoxytetrahydrofuran. The reaction mixture is cooled and then purified by vacuum distillation. 10.6 g (48% of theory) of a colourless oil which boils at 80° C. and 0.2 mbar or 146°-147° C. and 15 mbar are obtained. The reaction mixture is cooled purified by vacuum distillation 10.6 g (48% of theory) of a colourless oil which boils at 80° C. and 0.2 mbar or 146°-147° C. and 15 mbar are obtained
Source ID: ord-54f1e1a3b3494f0d8649e77445d4fe39Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 33.4 g (0.20 mol) of 3-(2,4-difluorophenyl)propionitrile are dissolved in 200 ml of ethanol and, after 2.8 g of Raney nickel in ethanol have been added and after 34 g (2.0 mol) of ammonia gas have been injected, are hydrogenated using hydrogen gas in a pressurized reactor at 75°-80° C. The take-up of hydrogen is complete after about 3 hours. The reaction mixture is cooled, decompressed and filtered and then freed from solvent on a vacuum rotary evaporator. The resultant oil is subjected to fractional distillation at 89°-90° C. in vacuo (13 mbar). 26.0 g (76% of theory) of a colourless oil are obtained. at 75°-80° C The reaction mixture is cooled filtered freed from solvent on a vacuum rotary evaporator The resultant oil is subjected to fractional distillation at 89°-90° C. in vacuo (13 mbar) 26.0 g (76% of theory) of a colourless oil are obtained
Source ID: ord-057595c8470e4e1b9924399ecaee847ePubChem References
These sources are listed in the compound's public database record.
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