No renderable structure data available
COC1=C(C=C(C=C1)CCl)FChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 3-Fluoro-4-methoxybenzyl chloride |
|---|---|
| IUPAC Name | — |
| CAS Number | 351-52-0 |
| Database ID | 2060903 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
3-Fluoro-4-methoxybenzyl chloride (CAS 351-52-0) 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 2060903
Safety Notice
For professional research and industrial use only. Review the supplier safety data sheet before handling.
Synthesis data
11 reactions · 11 references
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-6533f916d0e54bffadab7578c41e0676Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-14f90ba1a2474db6b73c100f3ecbc479Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-6533f916d0e54bffadab7578c41e0676Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: In the same manner as in Example 1 and using 5-[3-(4-methoxyphenyl)-1-benzofuran-5-yl]-1,3,4-oxadiazole-2-thiol instead of 5-(benzothiazol-6-yl)-1,3,4-oxadiazole-2-thiol and 3-fluoro-4-methoxybenzyl chloride instead of 3-(trifluoromethyl)benzyl chloride, the title compound (yield 86%) was obtained as colorless crystals.
Source ID: ord-22f058710d9d43b3937f38904ba34b86Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 2,3-dihydro-1-benzofuran-5-carbohydrazide (356 mg, 2.00 mmol) and potassium hydroxide (85%, 198 mg, 3.00 mmol) in ethanol (15 mL) was added carbon disulfide (0.180 mL, 3.00 mmol), and the resulting mixture was stirred at room temperature for 1 hr. The reaction mixture was concentrated under reduced pressure, a mixture of the obtained residue and N,N-dimethylformamide (10 mL) was tightly sealed in a vial, and the microwave was irradiated at 150° C. for 30 sec. After cooling to room temperature, 3-fluoro-4-methoxybenzyl chloride (698 mg, 4.00 mmol) was added, and the resulting mixture was stirred for 2 hr. The reaction mixture was diluted with ethyl acetate, washed twice with water and once with saturated brine, dried over anhydrous magnesium sulfate and concentrated under reduced pressure. The residue was crystallized from hexane/ethyl acetate to give the title compound (478 mg, yield 67%) as colorless crystals. The reaction mixture was concentrated under reduced pressure a mixture of the obtained residue and N,N-dimethylformamide (10 mL) was tightly sealed in a vial, and the microwave was irradiated at 150° C. for 30 sec After cooling to room temperature the resulting mixture was stirred for 2 hr washed twice with water and once with saturated brine dried over anhydrous magnesium sulfate concentrated under reduced pressure The residue was crystallized from hexane/ethyl acetate
Source ID: ord-7ecb29a39cb84233a9a132e3035b270cConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 3-fluoro-4-methoxybenzyl alcohol (1 g, 6.5 mmol) in dichloromethane (10 mL) were added under ice-cooling triethylamine (1.8 mL, 13 mmol) and methanesulfonyl chloride (0.60 mL, 7 mmol) and the mixture was stirred at room temperature for 30 min. The solvent was evaporated under reduced pressure and the obtained residue was dissolved in ethyl acetate. The organic layer was washed with saturated brine and dried over anhydrous sodium sulfate. The solvent was evaporated under reduced pressure to give an almost pure title compound (1.1 g, 100%). The solvent was evaporated under reduced pressure the obtained residue was dissolved in ethyl acetate The organic layer was washed with saturated brine dried over anhydrous sodium sulfate The solvent was evaporated under reduced pressure
Source ID: ord-c80cfa37516948f992096c6023c594afConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 3-fluoro-4-methoxybenzyl alcohol (1 g, 6.5 mmol) in dichloromethane (10 mL) were added under ice-cooling triethylamine (1.8 mL, 13 mmol) and methanesulfonyl chloride (0.60 mL, 7 mmol) and the mixture was stirred at room temperature for 30 min. The solvent was evaporated under reduced pressure and the obtained residue was dissolved in ethyl acetate. The organic layer was washed with saturated brine and dried over anhydrous sodium sulfate. The solvent was evaporated under reduced pressure to give an almost pure title compound (1.1 g, 100%). The solvent was evaporated under reduced pressure the obtained residue was dissolved in ethyl acetate The organic layer was washed with saturated brine dried over anhydrous sodium sulfate The solvent was evaporated under reduced pressure
Source ID: ord-c80cfa37516948f992096c6023c594afConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-14f90ba1a2474db6b73c100f3ecbc479Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: In the same manner as in Example 1 and using 5-[3-(4-methoxyphenyl)-1-benzofuran-5-yl]-1,3,4-oxadiazole-2-thiol instead of 5-(benzothiazol-6-yl)-1,3,4-oxadiazole-2-thiol and 3-fluoro-4-methoxybenzyl chloride instead of 3-(trifluoromethyl)benzyl chloride, the title compound (yield 86%) was obtained as colorless crystals.
Source ID: ord-22f058710d9d43b3937f38904ba34b86Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 2,3-dihydro-1-benzofuran-5-carbohydrazide (356 mg, 2.00 mmol) and potassium hydroxide (85%, 198 mg, 3.00 mmol) in ethanol (15 mL) was added carbon disulfide (0.180 mL, 3.00 mmol), and the resulting mixture was stirred at room temperature for 1 hr. The reaction mixture was concentrated under reduced pressure, a mixture of the obtained residue and N,N-dimethylformamide (10 mL) was tightly sealed in a vial, and the microwave was irradiated at 150° C. for 30 sec. After cooling to room temperature, 3-fluoro-4-methoxybenzyl chloride (698 mg, 4.00 mmol) was added, and the resulting mixture was stirred for 2 hr. The reaction mixture was diluted with ethyl acetate, washed twice with water and once with saturated brine, dried over anhydrous magnesium sulfate and concentrated under reduced pressure. The residue was crystallized from hexane/ethyl acetate to give the title compound (478 mg, yield 67%) as colorless crystals. The reaction mixture was concentrated under reduced pressure a mixture of the obtained residue and N,N-dimethylformamide (10 mL) was tightly sealed in a vial, and the microwave was irradiated at 150° C. for 30 sec After cooling to room temperature the resulting mixture was stirred for 2 hr washed twice with water and once with saturated brine dried over anhydrous magnesium sulfate concentrated under reduced pressure The residue was crystallized from hexane/ethyl acetate
Source ID: ord-7ecb29a39cb84233a9a132e3035b270cConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 3-fluoro-4-methoxybenzyl alcohol (1 g, 6.5 mmol) in dichloromethane (10 mL) were added under ice-cooling triethylamine (1.8 mL, 13 mmol) and methanesulfonyl chloride (0.60 mL, 7 mmol) and the mixture was stirred at room temperature for 30 min. The solvent was evaporated under reduced pressure and the obtained residue was dissolved in ethyl acetate. The organic layer was washed with saturated brine and dried over anhydrous sodium sulfate. The solvent was evaporated under reduced pressure to give an almost pure title compound (1.1 g, 100%). The solvent was evaporated under reduced pressure the obtained residue was dissolved in ethyl acetate The organic layer was washed with saturated brine dried over anhydrous sodium sulfate The solvent was evaporated under reduced pressure
Source ID: ord-c80cfa37516948f992096c6023c594afPubChem References
These sources are listed in the compound's public database record.
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