No renderable structure data available
CSC1=C(C=CC=C1F)FChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 1,3-difluoro-2-methylsulfanylbenzene |
|---|---|
| IUPAC Name | — |
| CAS Number | 91524-69-5 |
| Database ID | 13250262 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
1,3-difluoro-2-methylsulfanylbenzene (CAS 91524-69-5) 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 13250262
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-f3dee3abe11c47568dd28e0a6fd44e6cConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Combine 1,3-difluoro-2-methylsulfanyl-benzene (4.3 g, 27 mmol), iron (300 mg, 5.4 mmol), bromine (1.4 mL, 27 mmol), aluminium chloride (400 mg, 3.0 mmol) and dichloromethane (100 mL), at 0° C. Stir the reaction mixture at room temperature for 2 hours. Add saturated sodium thiosulfate solution (20 mL) and diethyl ether (100 mL). Separate the layers and wash the organic layer with brine (20 mL). Dry with MgSO4, filter and concentrate in vacuo. Chromatograph the residue on a column eluting the material with diethyl ether in hexane (0 to 5%) to give 1.1 g of 5-bromo-1,3-difluoro-2-methylsulfanyl-benzene (17%). at 0° C Separate the layers wash the organic layer with brine (20 mL) Dry with MgSO4 filter concentrate in vacuo Chromatograph the residue on a column eluting the material with diethyl ether in hexane (0 to 5%)
Source ID: ord-82b15db61fb14abbbdc2815e516e50f6Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Combine 1,3-difluoro-2-methylsulfanyl-benzene (4.3 g, 27 mmol), iron (300 mg, 5.4 mmol), bromine (1.4 mL, 27 mmol), aluminium chloride (400 mg, 3.0 mmol) and dichloromethane (100 mL), at 0° C. Stir the reaction mixture at room temperature for 2 hours. Add saturated sodium thiosulfate solution (20 mL) and diethyl ether (100 mL). Separate the layers and wash the organic layer with brine (20 mL). Dry with MgSO4, filter and concentrate in vacuo. Chromatograph the residue on a column eluting the material with diethyl ether in hexane (0 to 5%) to give 1.1 g of 5-bromo-1,3-difluoro-2-methylsulfanyl-benzene (17%). at 0° C Separate the layers wash the organic layer with brine (20 mL) Dry with MgSO4 filter concentrate in vacuo Chromatograph the residue on a column eluting the material with diethyl ether in hexane (0 to 5%)
Source ID: ord-82b15db61fb14abbbdc2815e516e50f6Conditions: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Dissolve 1,3-difluorobenzene (3.5 g, 30.7 mmol) into THF (100 mL). Cool the mixture to −78° C. and add n-butyl lithium (19 mL, 30.7 mmol). Stir for 20 minutes and add dimethyldisulfide (3 mL, 3.38 mmol). Remove the cooling bath and warm to room temperature. Pour the reaction mixture into ice (10 g) and add diethyl ether (100 mL). Separate the layers and wash the organic layer with brine (20 mL). Dry with MgSO4, filter, and concentrate in vacuo to give 4.3 g of 1,3-difluoro-2-methylsulfanyl-benzene (88%). Remove the cooling bath warm to room temperature Pour the reaction mixture into ice (10 g) add diethyl ether (100 mL) Separate the layers wash the organic layer with brine (20 mL) Dry with MgSO4 filter concentrate in vacuo
Source ID: ord-5babcaec94b7415a9c386ab502f0576fConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Combine 1,3-difluoro-2-methylsulfanyl-benzene (4.3 g, 27 mmol), iron (300 mg, 5.4 mmol), bromine (1.4 mL, 27 mmol), aluminium chloride (400 mg, 3.0 mmol) and dichloromethane (100 mL), at 0° C. Stir the reaction mixture at room temperature for 2 hours. Add saturated sodium thiosulfate solution (20 mL) and diethyl ether (100 mL). Separate the layers and wash the organic layer with brine (20 mL). Dry with MgSO4, filter and concentrate in vacuo. Chromatograph the residue on a column eluting the material with diethyl ether in hexane (0 to 5%) to give 1.1 g of 5-bromo-1,3-difluoro-2-methylsulfanyl-benzene (17%). at 0° C Separate the layers wash the organic layer with brine (20 mL) Dry with MgSO4 filter concentrate in vacuo Chromatograph the residue on a column eluting the material with diethyl ether in hexane (0 to 5%)
Source ID: ord-26601702e79c46caac2d00bb9b4862b2Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Combine 1,3-difluoro-2-methylsulfanyl-benzene (4.3 g, 27 mmol), iron (300 mg, 5.4 mmol), bromine (1.4 mL, 27 mmol), aluminium chloride (400 mg, 3.0 mmol) and dichloromethane (100 mL), at 0° C. Stir the reaction mixture at room temperature for 2 hours. Add saturated sodium thiosulfate solution (20 mL) and diethyl ether (100 mL). Separate the layers and wash the organic layer with brine (20 mL). Dry with MgSO4, filter and concentrate in vacuo. Chromatograph the residue on a column eluting the material with diethyl ether in hexane (0 to 5%) to give 1.1 g of 5-bromo-1,3-difluoro-2-methylsulfanyl-benzene (17%). at 0° C Separate the layers wash the organic layer with brine (20 mL) Dry with MgSO4 filter concentrate in vacuo Chromatograph the residue on a column eluting the material with diethyl ether in hexane (0 to 5%)
Source ID: ord-26601702e79c46caac2d00bb9b4862b2Conditions: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Dissolve 1,3-difluorobenzene (3.5 g, 30.7 mmol) into THF (100 mL). Cool the mixture to −78° C. and add n-butyl lithium (19 mL, 30.7 mmol). Stir for 20 minutes and add dimethyldisulfide (3 mL, 3.38 mmol). Remove the cooling bath and warm to room temperature. Pour the reaction mixture into ice (10 g) and add diethyl ether (100 mL). Separate the layers and wash the organic layer with brine (20 mL). Dry with MgSO4, filter, and concentrate in vacuo to give 4.3 g of 1,3-difluoro-2-methylsulfanyl-benzene (88%). Remove the cooling bath warm to room temperature Pour the reaction mixture into ice (10 g) add diethyl ether (100 mL) Separate the layers wash the organic layer with brine (20 mL) Dry with MgSO4 filter concentrate in vacuo
Source ID: ord-50ce99aaf85247e0916cad4e543db9d9Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Combine 1,3-difluoro-2-methylsulfanyl-benzene (4.3 g, 27 mmol), iron (300 mg, 5.4 mmol), bromine (1.4 mL, 27 mmol), aluminium chloride (400 mg, 3.0 mmol) and dichloromethane (100 mL), at 0° C. Stir the reaction mixture at room temperature for 2 hours. Add saturated sodium thiosulfate solution (20 mL) and diethyl ether (100 mL). Separate the layers and wash the organic layer with brine (20 mL). Dry with MgSO4, filter and concentrate in vacuo. Chromatograph the residue on a column eluting the material with diethyl ether in hexane (0 to 5%) to give 1.1 g of 5-bromo-1,3-difluoro-2-methylsulfanyl-benzene (17%). at 0° C Separate the layers wash the organic layer with brine (20 mL) Dry with MgSO4 filter concentrate in vacuo Chromatograph the residue on a column eluting the material with diethyl ether in hexane (0 to 5%)
Source ID: ord-82b15db61fb14abbbdc2815e516e50f6Conditions: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Dissolve 1,3-difluorobenzene (3.5 g, 30.7 mmol) into THF (100 mL). Cool the mixture to −78° C. and add n-butyl lithium (19 mL, 30.7 mmol). Stir for 20 minutes and add dimethyldisulfide (3 mL, 3.38 mmol). Remove the cooling bath and warm to room temperature. Pour the reaction mixture into ice (10 g) and add diethyl ether (100 mL). Separate the layers and wash the organic layer with brine (20 mL). Dry with MgSO4, filter, and concentrate in vacuo to give 4.3 g of 1,3-difluoro-2-methylsulfanyl-benzene (88%). Remove the cooling bath warm to room temperature Pour the reaction mixture into ice (10 g) add diethyl ether (100 mL) Separate the layers wash the organic layer with brine (20 mL) Dry with MgSO4 filter concentrate in vacuo
Source ID: ord-5babcaec94b7415a9c386ab502f0576fConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Combine 1,3-difluoro-2-methylsulfanyl-benzene (4.3 g, 27 mmol), iron (300 mg, 5.4 mmol), bromine (1.4 mL, 27 mmol), aluminium chloride (400 mg, 3.0 mmol) and dichloromethane (100 mL), at 0° C. Stir the reaction mixture at room temperature for 2 hours. Add saturated sodium thiosulfate solution (20 mL) and diethyl ether (100 mL). Separate the layers and wash the organic layer with brine (20 mL). Dry with MgSO4, filter and concentrate in vacuo. Chromatograph the residue on a column eluting the material with diethyl ether in hexane (0 to 5%) to give 1.1 g of 5-bromo-1,3-difluoro-2-methylsulfanyl-benzene (17%). at 0° C Separate the layers wash the organic layer with brine (20 mL) Dry with MgSO4 filter concentrate in vacuo Chromatograph the residue on a column eluting the material with diethyl ether in hexane (0 to 5%)
Source ID: ord-26601702e79c46caac2d00bb9b4862b2Conditions: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Dissolve 1,3-difluorobenzene (3.5 g, 30.7 mmol) into THF (100 mL). Cool the mixture to −78° C. and add n-butyl lithium (19 mL, 30.7 mmol). Stir for 20 minutes and add dimethyldisulfide (3 mL, 3.38 mmol). Remove the cooling bath and warm to room temperature. Pour the reaction mixture into ice (10 g) and add diethyl ether (100 mL). Separate the layers and wash the organic layer with brine (20 mL). Dry with MgSO4, filter, and concentrate in vacuo to give 4.3 g of 1,3-difluoro-2-methylsulfanyl-benzene (88%). Remove the cooling bath warm to room temperature Pour the reaction mixture into ice (10 g) add diethyl ether (100 mL) Separate the layers wash the organic layer with brine (20 mL) Dry with MgSO4 filter concentrate in vacuo
Source ID: ord-50ce99aaf85247e0916cad4e543db9d9PubChem References
These sources are listed in the compound's public database record.
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