Reaction #4122215
Related Literature (1)
openreactiondata ↗doi:10.1039/C8SC04228D
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-906825d989914d2297c9b0cad170934fNo renderable structure data available
CS(=O)(=O)C1=CC=CC(=C1)OChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 3-methylsulfonylphenol |
|---|---|
| IUPAC Name | — |
| CAS Number | 14763-61-2 |
| Database ID | 637556 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
3-methylsulfonylphenol (CAS 14763-61-2) 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 637556
Safety Notice
For professional research and industrial use only. Review the supplier safety data sheet before handling.
Synthesis data
8 reactions · 8 references
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-906825d989914d2297c9b0cad170934fConditions: temp:70.01; pressure:0.00; stir:
Procedure: Dilution of the aliquot (2 uL) with DMSO (200 uL).
Source ID: ord-dd9ffc3f4ccf4e538b4f9d0cdfcf5b0aConditions: temp:0.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared by a slightly modified literature procedure.* 3-aminophenyl methyl sulfone hydrochloride (1.18 g, 5.70 mmol) was suspended in water/CH2Cl2. The mixture was neutralized with 25% aqueous NaOH. The CH2Cl2 layer was isolated and evaporated to dryness. Aqueous H2SO4 (60%; 10 mL) was added to the residue and the solution was cooled to 0° C. A solution of NaNO2 (0.345 g, 5.00 mmol) in water (5 mL) was added dropwise. The solution was stirred at 0° C. for 30 min. and at 90° C. for 30 min. The reaction mixture was allowed to come to room temperature. Extraction with CH2Cl2, drying (MgSO4), and concentration gave 0.39 g (40%) of the title compound as a solid. MS m/z 172 (M)+. HRMS m/z calcd for C7H8O3S (M)+ 172.0194, found 172.0198. evaporated to dryness Aqueous H2SO4 (60%; 10 mL) was added to the residue to come to room temperature Extraction with CH2Cl2 drying (MgSO4), and concentration
Source ID: ord-b14b87f5bb384528ab0bafa84a3ffdc1Conditions: temp:0.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared by a slightly modified literature procedure.* 3-aminophenyl methyl sulfone hydrochloride (1.18 g, 5.70 mmol) was suspended in water/CH2Cl2. The mixture was neutralized with 25% aqueous NaOH. The CH2Cl2 layer was isolated and evaporated to dryness. Aqueous H2SO4 (60%; 10 mL) was added to the residue and the solution was cooled to 0° C. A solution of NaNO2 (0.345 g, 5.00 mmol) in water (5 mL) was added dropwise. The solution was stirred at 0° C. for 30 min. and at 90° C. for 30 min. The reaction mixture was allowed to come to room temperature. Extraction with CH2Cl2, drying (MgSO4), and concentration gave 0.39 g (40%) of the title compound as a solid. MS m/z 172 (M)+. HRMS m/z calcd for C7H8O3S (M)+ 172.0194, found 172.0198. evaporated to dryness Aqueous H2SO4 (60%; 10 mL) was added to the residue to come to room temperature Extraction with CH2Cl2 drying (MgSO4), and concentration
Source ID: ord-b14b87f5bb384528ab0bafa84a3ffdc1Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-906825d989914d2297c9b0cad170934fConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 1-Methoxy-3-(methylsulfonyl)benzene (300 mg, 1.61 mmol) was suspended in 1.6 mL aqueous hydrobromic acid (48% w/w) and 1.6 mL acetic acid. The mixture was heated under reflux for 24 hours. The reaction was cooled back to room temperature and concentrated. The residue was purified by column chromatography through a 40 gram biotage silica gel cartridge eluting with 40-70% ethyl acetate/hexanes (gradient) to give the product as white solid. LRMS calc: 172.0; obs: 173.2 (M+1). The mixture was heated under reflux for 24 hours concentrated The residue was purified by column chromatography through a 40 gram biotage silica gel cartridge eluting with 40-70% ethyl acetate/hexanes (gradient)
Source ID: ord-11b48ec471dc4eb293cd2916ea000e55Conditions: temp:0.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared by a slightly modified literature procedure.*3-aminophenyl methyl sulfone hydrochloride (1.18 g, 5.70 mmol) was suspended in water/CH2Cl2. The mixture was neutralized with 25% aqueous NaOH. The CH2Cl2 layer was isolated and evaporated to dryness. Aqueous H2SO4 (60%; 10 mL) was added to the residue and the solution was cooled to 0° C. A solution of NaNO2 (0.345 g, 5.00 mmol) in water (5 mL) was added dropwise. The solution was stirred at 0° C. for 30 min. and at 90° C. for 30 min. The reaction mixture was allowed to come to room temperature. Extraction with CH2Cl2, drying (MgSO4), and concentration gave 0.39 g (40%) of the title compound as a solid. MS m/z 172 (M)+. HRMS m/z calcd for C7H8O3S (M)+172.0194, found 172.0198. The title compound was prepared by a slightly modified literature procedure evaporated to dryness Aqueous H2SO4 (60%; 10 mL) was added to the residue to come to room temperature Extraction with CH2Cl2 drying (MgSO4), and concentration
Source ID: ord-45c3ff1bfa84413d9285baf79542ac92Conditions: temp:0.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared by a slightly modified literature procedure.* 3-aminophenyl methyl sulfone hydrochloride (1.18 g, 5.70 mmol) was suspended in water/CH2Cl2. The mixture was neutralized with 25% aqueous NaOH. The CH2Cl2 layer was isolated and evaporated to dryness. Aqueous H2SO4 (60%; 10 mL) was added to the residue and the solution was cooled to 0° C. A solution of NaNO2 (0.345 g, 5.00 mmol) in water (5 mL) was added dropwise. The solution was stirred at 0° C. for 30 min. and at 90° C. for 30 min. The reaction mixture was allowed to come to room temperature. Extraction with CH2Cl2, drying (MgSO4), and concentration gave 0.39 g (40%) of the title compound as a solid. MS m/z 172 (M)+. HRMS m/z calcd for C7H8O3S (M)+ 172.0194, found 172.0198. evaporated to dryness Aqueous H2SO4 (60%; 10 mL) was added to the residue to come to room temperature Extraction with CH2Cl2 drying (MgSO4), and concentration
Source ID: ord-b14b87f5bb384528ab0bafa84a3ffdc1PubChem References
These sources are listed in the compound's public database record.
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