| Identification | Back Directory | [Name]
2-BROMO-4-TERT-BUTYLPHENOL | [CAS]
2198-66-5 | [Synonyms]
AKOS BBB/374
2-Bromo-4-t-butylphenol
2-BROMO-4-TERT-BUTYLPHENOL
4-TERT-BUTYL-2-BROMOPHENOL
2-Bromo-4-tert-butylphenol >
2-broMo-4-(1,1-diMethylethyl)-
Phenol, 2-bromo-4-(1,1-dimethylethyl)- | [EINECS(EC#)]
218-602-9 | [Molecular Formula]
C10H13BrO | [MDL Number]
MFCD02682891 | [MOL File]
2198-66-5.mol | [Molecular Weight]
229.11 |
| Chemical Properties | Back Directory | [Melting point ]
51°C(lit.) | [Boiling point ]
113°C/9mmHg(lit.) | [density ]
1.341±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Oil | [pka]
8.65±0.18(Predicted) | [color ]
Clear Colourless | [InChI]
InChI=1S/C10H13BrO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,1-3H3 | [InChIKey]
FFRLMQPMGIMHHQ-UHFFFAOYSA-N | [SMILES]
C1(O)=CC=C(C(C)(C)C)C=C1Br |
| Hazard Information | Back Directory | [Chemical Properties]
White crystalline | [Uses]
2-Bromo-4-tert-butylphenol is useful synthetic compound that can be used to prepare 2-?Mesityl-?4-?tert-?butylphenol. | [Synthesis]
A method for the preparation of 2-bromo-4-tert-butylphenol, comprising the steps of S11. dissolving 1 mol 4-tert-butylphenol in 300-500 ml of acetic acid solution at room temperature, followed by adding 150-250 ml of water, stirring well, and then adding 1.01 mol of sodium bromide; S12. slowly dropping in 10% sodium chlorite solution (effective chlorine content of 128.2.0 sodium bromide equivalents) over a period of 1-2 hours at room temperature and stirring; and continuing the reaction for 4-8 hours after dropping. Sodium solution (effective chlorine content of 128.2.0 sodium bromide equivalent), after dropping, continue to stir the reaction at room temperature for 4-8 hours. The conversion of 2-bromo-4-tert-butylphenol prepared by this method was more than 99%, the yield was 97% and the purity of the product was 98.3%. | [References]
[1] Journal of the American Chemical Society, 1982, vol. 104, # 5, p. 1362 - 1368
[2] Chemistry - A European Journal, 2012, vol. 18, # 11, p. 3286 - 3291
[3] Patent: US2014/135320, 2014, A1. Location in patent: Page/Page column 0219
[4] Patent: US2014/135360, 2014, A1. Location in patent: Paragraph 0147
[5] Tetrahedron Asymmetry, 1999, vol. 10, # 3, p. 411 - 427 |
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