No renderable structure data available
C1=CC=C(C=C1)OC(F)FChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | difluoromethoxybenzene |
|---|---|
| IUPAC Name | — |
| CAS Number | 458-92-4 |
| Database ID | 68015 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
difluoromethoxybenzene (CAS 458-92-4) 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 68015
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-baf4bd18c164437080e718dba3203b75Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-952828307116490eb3e0f6b58b22cfafConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-5339a5ac24dc4aa4947984bf41e49c87Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 0.5 g of potassium chloride and 10 g of difluoromethoxybenzene in 100 ml of 1,3-bistrifluoromethylbenzene were introduced as the initial charge, and chlorine was then introduced at 100° C. with UV irradiation. In the course of an hour, another 20 g of difluoromethoxybenzene were metered in. After chlorine uptake was complete, the reaction mixture was purged with nitrogen and subsequently distilled. 35.5 g of chlorodifluoromethoxybenzene were isolated (boiling point 144° C., refractive index nD20 1.4479). initial charge In the course of an hour the reaction mixture was purged with nitrogen subsequently distilled
Source ID: ord-ce9e40feb79b4bcab347a1604d5df2ccConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 3-(difluoromethoxy)benzene (3.0 g) and triisopropoxyborane (2.78 g) in tetrahydrofuran (15 ml) was cooled to −78° C. under argon atmosphere, and thereto was added a solution of n-butyl lithium (1.59 M hexane solution, 9.3 ml). The mixture was stirred at same temperature for 10 minutes, warmed, and further stirred at room temperature overnight. Thereto was added 3N aqueous hydrochloric acid solution (10 ml), and the mixture was stirred at room temperature for 5 minutes. The mixture was extracted with ethyl acetate. The extract was washed with brine, and dried over sodium sulfate. The solvent was evaporated under reduced pressure. The residue was crystallized from hexane to give 3-difluoromethoxybenzene-boronic acid (1.6 g) as colorless crystals. warmed further stirred at room temperature overnight the mixture was stirred at room temperature for 5 minutes The mixture was extracted with ethyl acetate The extract was washed with brine dried over sodium sulfate The solvent was evaporated under reduced pressure The residue was crystallized from hexane
Source ID: ord-ca943c1872314cb7a36f550cfacaeb53Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 0.5 g of potassium chloride and 10 g of difluoromethoxybenzene in 100 ml of 1,3-bistrifluoromethylbenzene were introduced as the initial charge, and chlorine was then introduced at 100° C. with UV irradiation. In the course of an hour, another 20 g of difluoromethoxybenzene were metered in. After chlorine uptake was complete, the reaction mixture was purged with nitrogen and subsequently distilled. 35.5 g of chlorodifluoromethoxybenzene were isolated (boiling point 144° C., refractive index nD20 1.4479). initial charge In the course of an hour the reaction mixture was purged with nitrogen subsequently distilled
Source ID: ord-ce9e40feb79b4bcab347a1604d5df2ccConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 0.5 g of potassium chloride and 10 g of difluoromethoxybenzene in 100 ml of 1,3-bistrifluoromethylbenzene were introduced as the initial charge, and chlorine was then introduced at 100° C. with UV irradiation. In the course of an hour, another 20 g of difluoromethoxybenzene were metered in. After chlorine uptake was complete, the reaction mixture was purged with nitrogen and subsequently distilled. 35.5 g of chlorodifluoromethoxybenzene were isolated (boiling point 144° C., refractive index nD20 1.4479). initial charge In the course of an hour the reaction mixture was purged with nitrogen subsequently distilled
Source ID: ord-ce9e40feb79b4bcab347a1604d5df2ccConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 3-(difluoromethoxy)benzene (3.0 g) and triisopropoxyborane (2.78 g) in tetrahydrofuran (15 ml) was cooled to −78° C. under argon atmosphere, and thereto was added a solution of n-butyl lithium (1.59 M hexane solution, 9.3 ml). The mixture was stirred at same temperature for 10 minutes, warmed, and further stirred at room temperature overnight. Thereto was added 3N aqueous hydrochloric acid solution (10 ml), and the mixture was stirred at room temperature for 5 minutes. The mixture was extracted with ethyl acetate. The extract was washed with brine, and dried over sodium sulfate. The solvent was evaporated under reduced pressure. The residue was crystallized from hexane to give 3-difluoromethoxybenzeneboronic acid (1.6 g) as colorless crystals. warmed further stirred at room temperature overnight the mixture was stirred at room temperature for 5 minutes The mixture was extracted with ethyl acetate The extract was washed with brine dried over sodium sulfate The solvent was evaporated under reduced pressure The residue was crystallized from hexane
Source ID: ord-226130e25f7740cabc95067854ef6488Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 3-(difluoromethoxy)benzene (3.0 g) and triisopropoxyborane (2.78 g) in tetrahydrofuran (15 ml) was cooled to −78° C. under argon atmosphere, and thereto was added a solution of n-butyl lithium (1.59 M hexane solution, 9.3 ml). The mixture was stirred at same temperature for 10 minutes, warmed, and further stirred at room temperature overnight. Thereto was added 3N aqueous hydrochloric acid solution (10 ml), and the mixture was stirred at room temperature for 5 minutes. The mixture was extracted with ethyl acetate. The extract was washed with brine, and dried over sodium sulfate. The solvent was evaporated under reduced pressure. The residue was crystallized from hexane to give 3-difluoromethoxybenzeneboronic acid (1.6 g) as colorless crystals. warmed further stirred at room temperature overnight the mixture was stirred at room temperature for 5 minutes The mixture was extracted with ethyl acetate The extract was washed with brine dried over sodium sulfate The solvent was evaporated under reduced pressure The residue was crystallized from hexane
Source ID: ord-226130e25f7740cabc95067854ef6488Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-baf4bd18c164437080e718dba3203b75Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-952828307116490eb3e0f6b58b22cfafConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-5339a5ac24dc4aa4947984bf41e49c87PubChem References
These sources are listed in the compound's public database record.
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