No renderable structure data available
CC1=CC(=C(C(=C1)F)F)FChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 1,2,3-trifluoro-5-methylbenzene |
|---|---|
| IUPAC Name | — |
| CAS Number | 284463-96-3 |
| Database ID | 17776703 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
1,2,3-trifluoro-5-methylbenzene (CAS 284463-96-3) 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 17776703
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-0112905da16f4581826db13c9e958617Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 1,2,3-Trifluoro-5-methylbenzene (40 mmol) was added to conc. H2SO4 (50 ml) at 0-5° C. Then the reaction mixture was slowly treated with conc. HNO3 (3.39 ml, 48.44 mmol, 90%) while maintaining the internal temperature below 20° C. The reaction mixture was stirred at room temperature for 16 h and poured onto ice (300 g) and the oily layer was extracted with CH2Cl2 (2×125 ml). The organic layer was washed with water (2×200 ml), brine (200 ml) and dried (MgSO4) and evaporated to obtain the crude product which was purified over flash silica gel chromatography to obtain the title product (6.5 g, 85%). 1H-NMR (300 MHz, CDCl3): δ 6.96 (septet, 1H), 2.39 (s, 3H). 19FNMR (CDCl3): δ −128.18, −141.50, −159.05. while maintaining the internal temperature below 20° C poured onto ice (300 g) the oily layer was extracted with CH2Cl2 (2×125 ml) The organic layer was washed with water (2×200 ml), brine (200 ml) dried (MgSO4) evaporated to obtain the crude product which was purified over flash silica gel chromatography
Source ID: ord-ef6679938b5c438391d5f93f7de26a58Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-0112905da16f4581826db13c9e958617Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 1,2,3-Trifluoro-5-methylbenzene (40 mmol) was added to conc. H2SO4 (50 ml) at 0-5° C. Then the reaction mixture was slowly treated with cone. HNO3 (3.39 ml, 48.44 mmol, 90%) while maintaining the internal temperature below 20° C. The reaction mixture was stirred at room temperature for 16 h and poured onto ice (300 g) and the oily layer was extracted with CH2Cl2 (2×125 ml). The organic layer was washed with water (2×200 ml), brine (200 ml) and dried (MgSO4) and evaporated to obtain the crude product which was purified over flash silica gel chromatography to obtain the title product (6.5 g, 85%). 1H-NMR (300 MHz, CDCl3): δ 6.96 (septet, 1H), 2.39 (s, 3H). 19FNMR (CDCl3): δ −128.18, −141.50, −159.05. Then the reaction mixture was slowly treated with cone poured onto ice (300 g) the oily layer was extracted with CH2Cl2 (2×125 ml) The organic layer was washed with water (2×200 ml), brine (200 ml) dried (MgSO4) evaporated to obtain the crude product which was purified over flash silica gel chromatography
Source ID: ord-74a5fb5bb01245bbb47f1e85f9104d48Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 1,2,3-Trifluoro-5-methylbenzene (40 mmol) was added to conc. H2SO4 (50 ml) at 0-5° C. Then the reaction mixture was slowly treated with cone. HNO3 (3.39 ml, 48.44 mmol, 90%) while maintaining the internal temperature below 20° C. The reaction mixture was stirred at room temperature for 16 h and poured onto ice (300 g) and the oily layer was extracted with CH2Cl2 (2×125 ml). The organic layer was washed with water (2×200 ml), brine (200 ml) and dried (MgSO4) and evaporated to obtain the crude product which was purified over flash silica gel chromatography to obtain the title product (6.5 g, 85%). 1H-NMR (300 MHz, CDCl3): δ 6.96 (septet, 1H), 2.39 (s, 3H). 19FNMR (CDCl3): δ −128.18, −141.50, −159.05. Then the reaction mixture was slowly treated with cone poured onto ice (300 g) the oily layer was extracted with CH2Cl2 (2×125 ml) The organic layer was washed with water (2×200 ml), brine (200 ml) dried (MgSO4) evaporated to obtain the crude product which was purified over flash silica gel chromatography
Source ID: ord-74a5fb5bb01245bbb47f1e85f9104d48Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 1,2,3-Trifluoro-5-methylbenzene (40 mmol) was added to conc. H2SO4 (50 ml) at 0-5° C. Then the reaction mixture was slowly treated with conc. HNO3 (3.39 ml, 48.44 mmol, 90%) while maintaining the internal temperature below 20° C. The reaction mixture was stirred at room temperature for 16 h and poured onto ice (300 g) and the oily layer was extracted with CH2Cl2 (2×125 ml). The organic layer was washed with water (2×200 ml), brine (200 ml) and dried (MgSO4) and evaporated to obtain the crude product which was purified over flash silica gel chromatography to obtain the title product (6.5 g, 85%). 1H-NMR (300 MHz, CDCl3): δ 6.96 (septet, 1H), 2.39 (s, 3H). 19FNMR (CDCl3): δ −128.18, −141.50, −159.05. while maintaining the internal temperature below 20° C poured onto ice (300 g) the oily layer was extracted with CH2Cl2 (2×125 ml) The organic layer was washed with water (2×200 ml), brine (200 ml) dried (MgSO4) evaporated to obtain the crude product which was purified over flash silica gel chromatography
Source ID: ord-ef6679938b5c438391d5f93f7de26a58Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 1,2,3-Trifluoro-5-methylbenzene (40 mmol) was added to conc. H2SO4 (50 ml) at 0-5° C. Then the reaction mixture was slowly treated with cone. HNO3 (3.39 ml, 48.44 mmol, 90%) while maintaining the internal temperature below 20° C. The reaction mixture was stirred at room temperature for 16 h and poured onto ice (300 g) and the oily layer was extracted with CH2Cl2 (2×125 ml). The organic layer was washed with water (2×200 ml), brine (200 ml) and dried (MgSO4) and evaporated to obtain the crude product which was purified over flash silica gel chromatography to obtain the title product (6.5 g, 85%). 1H-NMR (300 MHz, CDCl3): δ 6.96 (septet, 1H), 2.39 (s, 3H). 19FNMR (CDCl3): δ −128.18, −141.50, −159.05. Then the reaction mixture was slowly treated with cone poured onto ice (300 g) the oily layer was extracted with CH2Cl2 (2×125 ml) The organic layer was washed with water (2×200 ml), brine (200 ml) dried (MgSO4) evaporated to obtain the crude product which was purified over flash silica gel chromatography
Source ID: ord-74a5fb5bb01245bbb47f1e85f9104d48Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 1,2,3-Trifluoro-5-methylbenzene (40 mmol) was added to conc. H2SO4 (50 ml) at 0-5° C. Then the reaction mixture was slowly treated with conc. HNO3 (3.39 ml, 48.44 mmol, 90%) while maintaining the internal temperature below 20° C. The reaction mixture was stirred at room temperature for 16 h and poured onto ice (300 g) and the oily layer was extracted with CH2Cl2 (2×125 ml). The organic layer was washed with water (2×200 ml), brine (200 ml) and dried (MgSO4) and evaporated to obtain the crude product which was purified over flash silica gel chromatography to obtain the title product (6.5 g, 85%). 1H-NMR (300 MHz, CDCl3): δ 6.96 (septet, 1H), 2.39 (s, 3H). 19FNMR (CDCl3): δ−128.18, −141.50, −159.05. while maintaining the internal temperature below 20° C poured onto ice (300 g) the oily layer was extracted with CH2Cl2 (2×125 ml) The organic layer was washed with water (2×200 ml), brine (200 ml) dried (MgSO4) evaporated to obtain the crude product which was purified over flash silica gel chromatography
Source ID: ord-8fd18f2a2cbb42c5bea2bed7b62789a3Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 1,2,3-Trifluoro-5-methylbenzene (40 mmol) was added to conc. H2SO4 (50 ml) at 0-5° C. Then the reaction mixture was slowly treated with conc. HNO3 (3.39 ml, 48.44 mmol, 90%) while maintaining the internal temperature below 20° C. The reaction mixture was stirred at room temperature for 16 h and poured onto ice (300 g) and the oily layer was extracted with CH2Cl2 (2×125 ml). The organic layer was washed with water (2×200 ml), brine (200 ml) and dried (MgSO4) and evaporated to obtain the crude product which was purified over flash silica gel chromatography to obtain the title product (6.5 g, 85%). 1H-NMR (300 MHz, CDCl3): δ 6.96 (septet, 1H), 2.39 (s, 3H). 19FNMR (CDCl3): δ−128.18, −141.50, −159.05. while maintaining the internal temperature below 20° C poured onto ice (300 g) the oily layer was extracted with CH2Cl2 (2×125 ml) The organic layer was washed with water (2×200 ml), brine (200 ml) dried (MgSO4) evaporated to obtain the crude product which was purified over flash silica gel chromatography
Source ID: ord-8fd18f2a2cbb42c5bea2bed7b62789a3Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 1,2,3-Trifluoro-5-methylbenzene (40 mmol) was added to conc. H2SO4 (50 ml) at 0-5° C. Then the reaction mixture was slowly treated with conc. HNO3 (3.39 ml, 48.44 mmol, 90%) while maintaining the internal temperature below 20° C. The reaction mixture was stirred at room temperature for 16 h and poured onto ice (300 g) and the oily layer was extracted with CH2Cl2 (2×125 ml). The organic layer was washed with water (2×200 ml), brine (200 ml) and dried (MgSO4) and evaporated to obtain the crude product which was purified over flash silica gel chromatography to obtain the title product (6.5 g, 85%). 1H-NMR (300 MHz, CDCl3): δ 6.96 (septet, 1H), 2.39 (s, 3H). 19FNMR (CDCl3): δ −128.18, −141.50, −159.05. while maintaining the internal temperature below 20° C poured onto ice (300 g) the oily layer was extracted with CH2Cl2 (2×125 ml) The organic layer was washed with water (2×200 ml), brine (200 ml) dried (MgSO4) evaporated to obtain the crude product which was purified over flash silica gel chromatography
Source ID: ord-3985cf0dd6374b52bd2217be380eeca9Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 1,2,3-Trifluoro-5-methylbenzene (40 mmol) was added to conc. H2SO4 (50 ml) at 0-5° C. Then the reaction mixture was slowly treated with conc. HNO3 (3.39 ml, 48.44 mmol, 90%) while maintaining the internal temperature below 20° C. The reaction mixture was stirred at room temperature for 16 h and poured onto ice (300 g) and the oily layer was extracted with CH2Cl2 (2×125 ml). The organic layer was washed with water (2×200 ml), brine (200 ml) and dried (MgSO4) and evaporated to obtain the crude product which was purified over flash silica gel chromatography to obtain the title product (6.5 g, 85%). 1H-NMR (300 MHz, CDCl3): δ 6.96 (septet, 1H), 2.39 (s, 3H). 19FNMR (CDCl3): δ −128.18, −141.50, −159.05. while maintaining the internal temperature below 20° C poured onto ice (300 g) the oily layer was extracted with CH2Cl2 (2×125 ml) The organic layer was washed with water (2×200 ml), brine (200 ml) dried (MgSO4) evaporated to obtain the crude product which was purified over flash silica gel chromatography
Source ID: ord-3985cf0dd6374b52bd2217be380eeca9Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 1,2,3-Trifluoro-5-methylbenzene (40 mmol) was added to conc. H2SO4 (50 ml) at 0-5° C. Then the reaction mixture was slowly treated with conc. HNO3 (3.39 ml, 48.44 mmol, 90%) while maintaining the internal temperature below 20° C. The reaction mixture was stirred at room temperature for 16 h and poured onto ice (300 g) and the oily layer was extracted with CH2Cl2 (2×125 ml). The organic layer was washed with water (2×200 ml), brine (200 ml) and dried (MgSO4) and evaporated to obtain the crude product which was purified over flash silica gel chromatography to obtain the title product (6.5 g, 85%). 1H-NMR (300 MHz, CDCl3): δ 6.96 (septet, 1H), 2.39 (s, 3H). 19FNMR (CDCl3): δ −128.18, −141.50, −159.05. while maintaining the internal temperature below 20° C poured onto ice (300 g) the oily layer was extracted with CH2Cl2 (2×125 ml) The organic layer was washed with water (2×200 ml), brine (200 ml) dried (MgSO4) evaporated to obtain the crude product which was purified over flash silica gel chromatography
Source ID: ord-855fb0cdcc5b4f2fb2ccbec040925199PubChem References
These sources are listed in the compound's public database record.
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