No renderable structure data available
CCC1=CC=C(C=C1)SChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 4-Ethylthiophenol |
|---|---|
| IUPAC Name | — |
| CAS Number | 4946-13-8 |
| Database ID | 2758914 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
4-Ethylthiophenol (CAS 4946-13-8) 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 2758914
Safety Notice
For professional research and industrial use only. Review the supplier safety data sheet before handling.
Synthesis data
12 reactions · 12 references
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-48a42b3d0fba44f7aa3e23cf2b3284beConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-4d94d7bffa124c2db9481f81c5fe0f84Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-cfc4a197d594414bae85000f85f184acConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-aacdc99c1b4146a6ab04a434aa1d2be7Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-2752a70d8ef94a4bb379352349b54a29Conditions: temp:25.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A 2.5 mol/L sodium hydroxide aqueous solution (2.0 mL, 4.9 mmol), and tetrabutylammonium bromide (0.019 g, 0.58 mmol) were added to 4-ethylbenzenethiol (0.20 g, 1.2 mmol), followed by stirring at 25° C. for 5 minutes. A toluene solution (2.0 mL) of 4-fluoro-3-nitrobenzaldehyde (0.20 g, 1.2 mmol) was added to the reaction liquid, followed by stirring at 25° C. for 12 hours. After the conventional post-reaction treatment, the product was purified by silica gel column chromatography (eluted by chloroform) to give 4-[(4-ethylphenyl)thio]-3-nitrobenzaldehyde (0.25 g, 75%). by stirring at 25° C. for 12 hours After the conventional post-reaction treatment, the product was purified by silica gel column chromatography (eluted by chloroform)
Source ID: ord-14f0376720704986a482b3cda4c00f84Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Under a nitrogen atmosphere, 4-ethylbenzenethiol (3.50 ml, 25.4 mmol) and 2-bromo-1,1-dimethoxyethane (3.3 ml, 27.9 mmol) were added to a sodium methoxide methanol solution (0.5 M, 81.4 ml, 40.7 mmol) under cooling with ice. The reaction mixture was stirred at the same temperature for 10 minutes, and then heated to reflux for five hours. The reaction mixture was concentrated under reduced pressure, and cold water was added. The resulting mixture was extracted with ether and the organic layer was washed with a saturated sodium chloride aqueous solution and dried with sodium sulfate. After filtration, the solvent was distilled under reduced pressure and the obtained residue was purified by silica gel column chromatography [developing solution=ethyl acetate:n-hexane (1:20)] to obtain the title compound (5.31 g, 93%). under cooling with ice heated to reflux for five hours The reaction mixture was concentrated under reduced pressure, and cold water was added The resulting mixture was extracted with ether the organic layer was washed with a saturated sodium chloride aqueous solution dried with sodium sulfate After filtration the solvent was distilled under reduced pressure the obtained residue was purified by silica gel column chromatography [developing solution=ethyl acetate:n-hexane (1:20)]
Source ID: ord-c036b0d25d564c6ab959d5129b44405fConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Under a nitrogen atmosphere, 4-ethylbenzenethiol (3.50 ml, 25.4 mmol) and 2-bromo-1,1-dimethoxyethane (3.3 ml, 27.9 mmol) were added to a sodium methoxide methanol solution (0.5 M, 81.4 ml, 40.7 mmol) under cooling with ice. The reaction mixture was stirred at the same temperature for 10 minutes, and then heated to reflux for five hours. The reaction mixture was concentrated under reduced pressure, and cold water was added. The resulting mixture was extracted with ether and the organic layer was washed with a saturated sodium chloride aqueous solution and dried with sodium sulfate. After filtration, the solvent was distilled under reduced pressure and the obtained residue was purified by silica gel column chromatography [developing solution=ethyl acetate:n-hexane (1:20)] to obtain the title compound (5.31 g, 93%). under cooling with ice heated to reflux for five hours The reaction mixture was concentrated under reduced pressure, and cold water was added The resulting mixture was extracted with ether the organic layer was washed with a saturated sodium chloride aqueous solution dried with sodium sulfate After filtration the solvent was distilled under reduced pressure the obtained residue was purified by silica gel column chromatography [developing solution=ethyl acetate:n-hexane (1:20)]
Source ID: ord-c036b0d25d564c6ab959d5129b44405fConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-48a42b3d0fba44f7aa3e23cf2b3284beConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-4d94d7bffa124c2db9481f81c5fe0f84Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-aacdc99c1b4146a6ab04a434aa1d2be7Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-2752a70d8ef94a4bb379352349b54a29PubChem References
These sources are listed in the compound's public database record.
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