No renderable structure data available
CC1=C(C=C(C=C1)CC(C)(C)N)FChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-amine |
|---|---|
| IUPAC Name | — |
| CAS Number | 787585-32-4 |
| Database ID | 23109614 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-amine (CAS 787585-32-4) 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 23109614
Safety Notice
For professional research and industrial use only. Review the supplier safety data sheet before handling.
Synthesis data
6 reactions · 6 references
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-ecb17f00072d4d1582ed82de24bcba95Conditions: temp:100.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 2-Chloro-N-[1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-yl]acetamide (131.6 g) obtained in Step 6 was dissolved in acetic acid (200 ml) and ethanol (1 L), and thiourea (46.6 g) was added. The mixture was stirred overnight at 100° C. The reaction mixture was cooled to room temperature, and the precipitated crystals were filtered. The filtrate was concentrated under reduced pressure, and 4N-sodium hydroxide solution (300 ml) was added to the obtained residue. The mixture was extracted 3 times with toluene. The organic layer was washed with brine, and concentrated under reduced pressure. The obtained residue was dissolved in diethyl ether (1 L) and 4N-hydrochloric acid/ethyl acetate solution (255 ml) was added dropwise under ice-cooling. The mixture was stirred for 1 hr and the precipitated crystals were collected by filtration. The obtained crystals were added to a mixture of toluene and 4N-aqueous sodium hydroxide solution. The toluene layer was separated, washed twice with water, and concentrated under reduced pressure to give the title compound (57.9 g). The reaction mixture was cooled to room temperature the precipitated crystals were filtered The filtrate was concentrated under reduced pressure, and 4N-sodium hydroxide solution (300 ml) was added to the obtained residue The mixture was extracted 3 times with toluene The organic layer was washed with brine concentrated under reduced pressure The obtained residue was dissolved in diethyl ether (1 L) 4N-hydrochloric acid/ethyl acetate solution (255 ml) was added dropwise under ice- cooling The mixture was stirred for 1 hr the precipitated crystals were collected by filtration The obtained crystals were added to a mixture of toluene and 4N-aqueous sodium hydroxide solution The toluene layer was separated washed twice with water concentrated under reduced pressure
Source ID: ord-5ea0f2393a0043638601133c6d597b56Conditions: temp:100.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 2-Chloro-N-[1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-yl]acetamide (131.6 g) obtained in Step 6 was dissolved in acetic acid (200 ml) and ethanol (1 L), and thiourea (46.6 g) was added. The mixture was stirred overnight at 100° C. The reaction mixture was cooled to room temperature, and the precipitated crystals were filtered. The filtrate was concentrated under reduced pressure, and 4N-sodium hydroxide solution (300 ml) was added to the obtained residue. The mixture was extracted 3 times with toluene. The organic layer was washed with brine, and concentrated under reduced pressure. The obtained residue was dissolved in diethyl ether (1 L) and 4N-hydrochloric acid/ethyl acetate solution (255 ml) was added dropwise under ice-cooling. The mixture was stirred for 1 hr and the precipitated crystals were collected by filtration. The obtained crystals were added to a mixture of toluene and 4N-aqueous sodium hydroxide solution. The toluene layer was separated, washed twice with water, and concentrated under reduced pressure to give the title compound (57.9 g). The reaction mixture was cooled to room temperature the precipitated crystals were filtered The filtrate was concentrated under reduced pressure, and 4N-sodium hydroxide solution (300 ml) was added to the obtained residue The mixture was extracted 3 times with toluene The organic layer was washed with brine concentrated under reduced pressure The obtained residue was dissolved in diethyl ether (1 L) 4N-hydrochloric acid/ethyl acetate solution (255 ml) was added dropwise under ice- cooling The mixture was stirred for 1 hr the precipitated crystals were collected by filtration The obtained crystals were added to a mixture of toluene and 4N-aqueous sodium hydroxide solution The toluene layer was separated washed twice with water concentrated under reduced pressure
Source ID: ord-c8baaaaf58d14f27a01786fec441e9b0Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-ecb17f00072d4d1582ed82de24bcba95Conditions: temp:100.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 2-Chloro-N-[1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-yl]acetamide (131.6 g) obtained in Step 6 was dissolved in acetic acid (200 ml) and ethanol (1 L), and thiourea (46.6 g) was added. The mixture was stirred overnight at 100° C. The reaction mixture was cooled to room temperature, and the precipitated crystals were filtered. The filtrate was concentrated under reduced pressure, and 4N-sodium hydroxide solution (300 ml) was added to the obtained residue. The mixture was extracted 3 times with toluene. The organic layer was washed with brine, and concentrated under reduced pressure. The obtained residue was dissolved in diethyl ether (1 L) and 4N-hydrochloric acid/ethyl acetate solution (255 ml) was added dropwise under ice-cooling. The mixture was stirred for 1 hr and the precipitated crystals were collected by filtration. The obtained crystals were added to a mixture of toluene and 4N-aqueous sodium hydroxide solution. The toluene layer was separated, washed twice with water, and concentrated under reduced pressure to give the title compound (57.9 g). The reaction mixture was cooled to room temperature the precipitated crystals were filtered The filtrate was concentrated under reduced pressure, and 4N-sodium hydroxide solution (300 ml) was added to the obtained residue The mixture was extracted 3 times with toluene The organic layer was washed with brine concentrated under reduced pressure The obtained residue was dissolved in diethyl ether (1 L) 4N-hydrochloric acid/ethyl acetate solution (255 ml) was added dropwise under ice- cooling The mixture was stirred for 1 hr the precipitated crystals were collected by filtration The obtained crystals were added to a mixture of toluene and 4N-aqueous sodium hydroxide solution The toluene layer was separated washed twice with water concentrated under reduced pressure
Source ID: ord-5ea0f2393a0043638601133c6d597b56Conditions: temp:100.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 2-Chloro-N-[1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-yl]acetamide (131.6 g) obtained in Step 6 was dissolved in acetic acid (200 ml) and ethanol (1 L), and thiourea (46.6 g) was added. The mixture was stirred overnight at 100° C. The reaction mixture was cooled to room temperature, and the precipitated crystals were filtered. The filtrate was concentrated under reduced pressure, and 4N-sodium hydroxide solution (300 ml) was added to the obtained residue. The mixture was extracted 3 times with toluene. The organic layer was washed with brine, and concentrated under reduced pressure. The obtained residue was dissolved in diethyl ether (1 L) and 4N-hydrochloric acid/ethyl acetate solution (255 ml) was added dropwise under ice-cooling. The mixture was stirred for 1 hr and the precipitated crystals were collected by filtration. The obtained crystals were added to a mixture of toluene and 4N-aqueous sodium hydroxide solution. The toluene layer was separated, washed twice with water, and concentrated under reduced pressure to give the title compound (57.9 g). The reaction mixture was cooled to room temperature the precipitated crystals were filtered The filtrate was concentrated under reduced pressure, and 4N-sodium hydroxide solution (300 ml) was added to the obtained residue The mixture was extracted 3 times with toluene The organic layer was washed with brine concentrated under reduced pressure The obtained residue was dissolved in diethyl ether (1 L) 4N-hydrochloric acid/ethyl acetate solution (255 ml) was added dropwise under ice- cooling The mixture was stirred for 1 hr the precipitated crystals were collected by filtration The obtained crystals were added to a mixture of toluene and 4N-aqueous sodium hydroxide solution The toluene layer was separated washed twice with water concentrated under reduced pressure
Source ID: ord-c8baaaaf58d14f27a01786fec441e9b0PubChem References
These sources are listed in the compound's public database record.
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