No renderable structure data available
CC1=C(C(=CC=C1)C)CS(=O)(=O)ClChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | (2,6-dimethylphenyl)methanesulfonyl chloride |
|---|---|
| IUPAC Name | — |
| CAS Number | 540524-67-2 |
| Database ID | 11218255 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
(2,6-dimethylphenyl)methanesulfonyl chloride (CAS 540524-67-2) 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 11218255
Safety Notice
For professional research and industrial use only. Review the supplier safety data sheet before handling.
Synthesis data
10 reactions · 10 references
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-19979e7c806f4ee992400dc41045d871Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-c0d65207a27e407dae71e01eefeaa559Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-19979e7c806f4ee992400dc41045d871Conditions: temp:2.51; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of (2,6-dimethylphenyl)-methanesulfonyl chloride (452 g, 2.07 mol) and acetone (2.0 L) was added over 90 m to cooled (0-5° C.), stirred, concentrated ammonium hydroxide (28%, 900 mL, 227 g NH3, 13.3 mol). The reaction mixture was maintained <10° C. during the addition. The reaction mixture was allowed to warm to room temperature and was stirred for 1 h. Water (2.0 L) was added to the reaction mixture and it was stirred for 1 h at 0-5° C. The white solid was collected by filtration, washed with cold water (2×1 L), and vacuum dried to give 349 g (85%) of (2,6-dimethylphenyl)-methanesulfonamide with 99% purity (as determined by HPLC). The reaction mixture was maintained <10° C. during the addition to warm to room temperature was stirred for 1 h was stirred for 1 h at 0-5° C The white solid was collected by filtration washed with cold water (2×1 L), and vacuum dried
Source ID: ord-ebbcc75062314dea87ff628b6d419336Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-c0d65207a27e407dae71e01eefeaa559Conditions: temp:-20.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Tetrahydrofuran (3.0 L), (2,6-dimethyl-phenyl)-methanesulfonic acid (300 g, containing 12% water by KF analysis, or 266 g corrected for water content), and N,N-dimethylformamide (15 g) were combined in a 5 L multi-necked flask equipped with overhead stirring. The reaction mixture was cooled to −20° C. and oxalyl chloride (655.5 g) was added slowly over 1 h. The reaction mixture was clarified by filtration and concentrated to a volume of 1 L. The filtrate was transferred to a flask equipped with overhead stirring and cooled to −40° C. Water (900 mL) was added over 30 minutes, maintaining an internal temperature of <−10° C. The product was collected by filtration, washed with water and heptane, and dried to give (2,6-dimethyl-phenyl)-methanesulfonic chloride (277 g, 96%). 1H NMR (300 MHz, CDCl3): δ 7.25-7.04 (m, 3H, ArH), 5.17 (s, CH2), and 2.50 (s, 6H, CH3). equipped with overhead stirring The reaction mixture was clarified by filtration concentrated to a volume of 1 L The filtrate was transferred to a flask equipped cooled to −40° C Water (900 mL) was added over 30 minutes maintaining an internal temperature of <−10° C The product was collected by filtration washed with water and heptane dried
Source ID: ord-1e158222fa9a483cb97cf444434baa39Conditions: temp:-20.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Tetrahydrofuran (3.0 L), (2,6-dimethyl-phenyl)-methanesulfonic acid (300 g, containing 12% water by KF analysis, or 266 g corrected for water content), and N,N-dimethylformamide (15 g) were combined in a 5 L multi-necked flask equipped with overhead stirring. The reaction mixture was cooled to −20° C. and oxalyl chloride (655.5 g) was added slowly over 1 h. The reaction mixture was clarified by filtration and concentrated to a volume of 1 L. The filtrate was transferred to a flask equipped with overhead stirring and cooled to −40° C. Water (900 mL) was added over 30 minutes, maintaining an internal temperature of <−10° C. The product was collected by filtration, washed with water and heptane, and dried to give (2,6-dimethyl-phenyl)-methanesulfonic chloride (277 g, 96%). 1H NMR (300 MHz, CDCl3): δ 7.25-7.04 (m, 3H, ArH), 5.17 (s, CH2), and 2.50 (s, 6H, CH3). equipped with overhead stirring The reaction mixture was clarified by filtration concentrated to a volume of 1 L The filtrate was transferred to a flask equipped cooled to −40° C Water (900 mL) was added over 30 minutes maintaining an internal temperature of <−10° C The product was collected by filtration washed with water and heptane dried
Source ID: ord-1e158222fa9a483cb97cf444434baa39Conditions: temp:2.51; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of (2,6-dimethylphenyl)-methanesulfonyl chloride (452 g, 2.07 mol) and acetone (2.0 L) was added over 90 m to cooled (0-5° C.), stirred, concentrated ammonium hydroxide (28%, 900 mL, 227 g NH3, 13.3 mol). The reaction mixture was maintained <10° C. during the addition. The reaction mixture was allowed to warm to room temperature and was stirred for 1 h. Water (2.0 L) was added to the reaction mixture and it was stirred for 1 h at 0-5° C. The white solid was collected by filtration, washed with cold water (2×1 L), and vacuum dried to give 349 g (85%) of (2,6-dimethylphenyl)-methanesulfonamide with 99% purity (as determined by HPLC). The reaction mixture was maintained <10° C. during the addition to warm to room temperature was stirred for 1 h was stirred for 1 h at 0-5° C The white solid was collected by filtration washed with cold water (2×1 L), and vacuum dried
Source ID: ord-abd5fe8c1fc24a39aeab27dd75d4b5acConditions: temp:2.51; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of (2,6-dimethylphenyl)-methanesulfonyl chloride (452 g, 2.07 mol) and acetone (2.0 L) was added over 90 m to cooled (0-5° C.), stirred, concentrated ammonium hydroxide (28%, 900 mL, 227 g NH3, 13.3 mol). The reaction mixture was maintained <10° C. during the addition. The reaction mixture was allowed to warm to room temperature and was stirred for 1 h. Water (2.0 L) was added to the reaction mixture and it was stirred for 1 h at 0-5° C. The white solid was collected by filtration, washed with cold water (2×1 L), and vacuum dried to give 349 g (85%) of (2,6-dimethylphenyl)-methanesulfonamide with 99% purity (as determined by HPLC). The reaction mixture was maintained <10° C. during the addition to warm to room temperature was stirred for 1 h was stirred for 1 h at 0-5° C The white solid was collected by filtration washed with cold water (2×1 L), and vacuum dried
Source ID: ord-8504d912a10544828f67fa32fdc00e3aConditions: temp:2.51; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of (2,6-dimethylphenyl)-methanesulfonyl chloride (452 g, 2.07 mol) and acetone (2.0 L) was added over 90 m to cooled (0-5° C.), stirred, concentrated ammonium hydroxide (28%, 900 mL, 227 g NH3, 13.3 mol). The reaction mixture was maintained <10° C. during the addition. The reaction mixture was allowed to warm to room temperature and was stirred for 1 h. Water (2.0 L) was added to the reaction mixture and it was stirred for 1 h at 0-5° C. The white solid was collected by filtration, washed with cold water (2×1 L), and vacuum dried to give 349 g (85%) of (2,6-dimethylphenyl)-methanesulfonamide with 99% purity (as determined by HPLC). The reaction mixture was maintained <10° C. during the addition to warm to room temperature was stirred for 1 h was stirred for 1 h at 0-5° C The white solid was collected by filtration washed with cold water (2×1 L), and vacuum dried
Source ID: ord-ebbcc75062314dea87ff628b6d419336PubChem References
These sources are listed in the compound's public database record.
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