No renderable structure data available
CC(C)(C)C1=CC=CC=C1OChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 2-tert-butylphenol |
|---|---|
| IUPAC Name | — |
| CAS Number | 88-18-6 |
| Database ID | 6923 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
2-tert-butylphenol (CAS 88-18-6) 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 6923
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-44b7d4a8734a4f37a51820160b13c561Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-25cf2bfb919a4811b3812d6b39c77e99Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-b052f3abafbf45ec851b3dcab61549d8Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-c556a74936d7458fbea97131eba24026Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-4e8dc345f0da4cc8b715c7645f09ce42Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-a1f2fa122569498d99943c1f9519f0f6Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-efae10bd98e24efb962eddeb303941c4Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-1adc34d1f4b042bda42cb19c99e012f2Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-01f35470be85485897e65ed83ca0dd9aConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-4388f85122cb4bc6a82c6c4562f597b9Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 2-tert-butylphenol (250 g, 1.67 mol) in CH3CN (1500 mL) was added NBS (300 g, 1.67 mol) at room temperature. After addition, the mixture was stirred at room temperature overnight and then the solvent was removed. Petroleum ether (1000 mL) was added, and the resulting white precipitate was filtered off. The filtrate was concentrated under reduced pressure to give the crude 2-tert-butyl-4-bromophenol (380 g), which was used without further purification. After addition the solvent was removed Petroleum ether (1000 mL) was added the resulting white precipitate was filtered off The filtrate was concentrated under reduced pressure
Source ID: ord-94c93ce486b5457da7695c4b2b7cdb86Conditions: temp:-45.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a dry, round bottom flask was added aluminum chloride (4.402 g, 33.0 mmol). The flask was then cooled to −45° C. After 10 minutes, dry toluene (80 mL) was added followed by dropwise addition of 2-tert-butylphenol (5.00 mL, 32.7 mmol) (commercially available from Sigma-Aldrich, St. Louis, Mo., USA). The mixture was stirred and maintained at −4° C. After 1.5 hours, acetyl chloride (2.40 mL, 33.8 mmol) was carefully added dropwise. The mixture was allowed to warm to room temperature and monitored with TLC and LC-MS. After 18 hours, the mixture was slowly poured onto crushed ice. This mixture was stirred at room temperature and the crystals were collected by filtration. The light yellow solid was identified as T17.1 (4.2589 g, 68%). MS ESI (pos.) m/e: 193.1 (M+H)+. maintained at −4° C After 1.5 hours to warm to room temperature After 18 hours the mixture was slowly poured onto crushed ice This mixture was stirred at room temperature the crystals were collected by filtration
Source ID: ord-79d1bc3808f145d7a76551d7208413c7PubChem References
These sources are listed in the compound's public database record.
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