No renderable structure data available
CCSC1=CC(=CC(=C1)Cl)ClChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 1,3-dichloro-5-ethylsulfanylbenzene |
|---|---|
| IUPAC Name | — |
| CAS Number | 101079-92-9 |
| Database ID | 59752058 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
1,3-dichloro-5-ethylsulfanylbenzene (CAS 101079-92-9) 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 59752058
Safety Notice
For professional research and industrial use only. Review the supplier safety data sheet before handling.
Synthesis data
9 reactions · 9 references
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-03a2be5664ad4e8f8d85f1aa74abea39Conditions: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 3,5-dichlorophenyl ethyl sulfide (1.0 g, 4.8 mmol) in tetrahydrofuran (4 mL) was cooled to −78° C. A solution of n-butyllithium (4.5 mL, 1.6 M in hexane) was added dropwise and the mixture was stirred at −78° C. for 45 minutes. N,N-dimethylformamide (4.47 mL, 57.7 mmol) was added and the mixture was stirred at −78° C. for 1 hour. The mixture was stirred at room temperature for 2 hours. The mixture was quenched with ice water and extracted three times with ethyl acetate. The combined extracts were dried with sodium sulfate, filtered and concentrated. The residue was purified by chromatography on silica gel to give the desired product (1.1 g, 97%). 1H NMR (CDCl3) δ 10.40 (s, 1H), 7.20 (s, 2H), 3.00 (m, 2H), 1.4 (m, 3H). LC/MS: 235 (M+H)+. the mixture was stirred at −78° C. for 1 hour The mixture was stirred at room temperature for 2 hours The mixture was quenched with ice water extracted three times with ethyl acetate The combined extracts were dried with sodium sulfate filtered concentrated The residue was purified by chromatography on silica gel
Source ID: ord-3b93899ba83d4b91b0ba8ae530658e34Conditions: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 3,5-dichlorophenyl ethyl sulfide (1.0 g, 4.8 mmol) in tetrahydrofuran (4 mL) was cooled to −78° C. A solution of n-butyllithium (4.5 mL, 1.6 M in hexane) was added dropwise and the mixture was stirred at −78° C. for 45 minutes. N,N-dimethylformamide (4.47 mL, 57.7 mmol) was added and the mixture was stirred at −78° C. for 1 hour. The mixture was stirred at room temperature for 2 hours. The mixture was quenched with ice water and extracted three times with ethyl acetate. The combined extracts were dried with sodium sulfate, filtered and concentrated. The residue was purified by chromatography on silica gel to give the desired product (1.1 g, 97%). 1H NMR (CDCl3) δ 10.40 (s, 1H), 7.20 (s, 2H), 3.00 (m, 2H), 1.4 (m, 3H). LC/MS: 235 (M+H)+. the mixture was stirred at −78° C. for 1 hour The mixture was stirred at room temperature for 2 hours The mixture was quenched with ice water extracted three times with ethyl acetate The combined extracts were dried with sodium sulfate filtered concentrated The residue was purified by chromatography on silica gel
Source ID: ord-3b93899ba83d4b91b0ba8ae530658e34Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 3,5-dichlorobenzenethiol (1.50 g, 8.4 mmol), iodoethane (1.34 mL, 16.8 mmol), potassium carbonate (1.74 g, 12.6 mmol) and methylene chloride (10 mL) was stirred at 25° C. for 30 minutes. The reaction was diluted with water and extracted with ethyl acetate three times, dried over sodium sulfate, filtered and concentrated. The residue was purified by chromatography on silica gel to give the desired product (1.69 g, 97%). LC/MS: 207 (M+H)+. extracted with ethyl acetate three times dried over sodium sulfate filtered concentrated The residue was purified by chromatography on silica gel
Source ID: ord-819642c478d541c1b2f249e969a2b12dConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-03a2be5664ad4e8f8d85f1aa74abea39Conditions: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 3,5-dichlorophenyl ethyl sulfide (1.0 g, 4.8 mmol) in tetrahydrofuran (4 mL) was cooled to −78° C. A solution of n-butyllithium (4.5 mL, 1.6 M in hexane) was added dropwise and the mixture was stirred at −78° C. for 45 minutes. N,N-dimethylformamide (4.47 mL, 57.7 mmol) was added and the mixture was stirred at −78° C. for 1 hour. The mixture was stirred at room temperature for 2 hours. The mixture was quenched with ice water and extracted three times with ethyl acetate. The combined extracts were dried with sodium sulfate, filtered and concentrated. The residue was purified by chromatography on silica gel to give the desired product (1.1 g, 97%). 1H NMR (CDCl3) δ 10.40 (s, 1H), 7.20 (s, 2H), 3.00 (m, 2H), 1.4 (m, 3H). LC/MS: 235 (M+H)+. the mixture was stirred at −78° C. for 1 hour The mixture was stirred at room temperature for 2 hours The mixture was quenched with ice water extracted three times with ethyl acetate The combined extracts were dried with sodium sulfate filtered concentrated The residue was purified by chromatography on silica gel
Source ID: ord-22586639ccc649edac8cf0382625d4eaConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 3,5-dichlorobenzenethiol (1.50 g, 8.4 mmol), iodoethane (1.34 mL, 16.8 mmol), potassium carbonate (1.74 g, 12.6 mmol) and methylene chloride (10 mL) was stirred at 25° C. for 30 minutes. The reaction was diluted with water and extracted with ethyl acetate three times, dried over sodium sulfate, filtered and concentrated. The residue was purified by chromatography on silica gel to give the desired product (1.69 g, 97%). LC/MS: 207 (M+H)+. extracted with ethyl acetate three times dried over sodium sulfate filtered concentrated The residue was purified by chromatography on silica gel
Source ID: ord-9402da52b7b946efb3caf5900f1f5e5bConditions: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 3,5-dichlorophenyl ethyl sulfide (1.0 g, 4.8 mmol) in tetrahydrofuran (4 mL) was cooled to −78° C. A solution of n-butyllithium (4.5 mL, 1.6 M in hexane) was added dropwise and the mixture was stirred at −78° C. for 45 minutes. N,N-dimethylformamide (4.47 mL, 57.7 mmol) was added and the mixture was stirred at −78° C. for 1 hour. The mixture was stirred at room temperature for 2 hours. The mixture was quenched with ice water and extracted three times with ethyl acetate. The combined extracts were dried with sodium sulfate, filtered and concentrated. The residue was purified by chromatography on silica gel to give the desired product (1.1 g, 97%). 1H NMR (CDCl3) δ 10.40 (s, 1H), 7.20 (s, 2H), 3.00 (m, 2H), 1.4 (m, 3H). LC/MS: 235 (M+H)+. the mixture was stirred at −78° C. for 1 hour The mixture was stirred at room temperature for 2 hours The mixture was quenched with ice water extracted three times with ethyl acetate The combined extracts were dried with sodium sulfate filtered concentrated The residue was purified by chromatography on silica gel
Source ID: ord-3b93899ba83d4b91b0ba8ae530658e34Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 3,5-dichlorobenzenethiol (1.50 g, 8.4 mmol), iodoethane (1.34 mL, 16.8 mmol), potassium carbonate (1.74 g, 12.6 mmol) and methylene chloride (10 mL) was stirred at 25° C. for 30 minutes. The reaction was diluted with water and extracted with ethyl acetate three times, dried over sodium sulfate, filtered and concentrated. The residue was purified by chromatography on silica gel to give the desired product (1.69 g, 97%). LC/MS: 207 (M+H)+. extracted with ethyl acetate three times dried over sodium sulfate filtered concentrated The residue was purified by chromatography on silica gel
Source ID: ord-819642c478d541c1b2f249e969a2b12dPubChem References
These sources are listed in the compound's public database record.
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