2,6-DIBROMO-4-TERT-BUTYL-PHENOL
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2,6-DIBROMO-4-TERT-BUTYL-PHENOL
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CAS No:
98-22-6
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Formula:
C10H12Br2O
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Chemical Name:
2,6-DIBROMO-4-TERT-BUTYL-PHENOL
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Synonyms:
NSC 74538;4-tert-Butyl-2,6-dibromophenol;2,6-DIBROMO-4-TERT-BUTYL-PHENOL;Phenol, 2,6-dibroMo-4-(1,1-diMethylethyl)-
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CAS No:
2,6-DIBROMO-4-TERT-BUTYL-PHENOL Use and Manufacturing
General procedure: A solution of the starting material (~10 mmol) and pTsOH (10 mol percent) in MeOH (1.0 mL per mmol starting material) was stirred for 10 min, then a solution of NBS (100 mol percent; recrystallized from HA round-bottom flask was chargedwith 4-tert-butyl phenol (15 g, 0.10 mol) and stir bar. CH2Cl2was added and it was cooled to 0°C. Br2 (11 mL, 0.22 mol) wasadded to the mixture over 10 min. The mixture was wormedto room temperature and it was stirred for 4 h. the mixturewas evaporated and the residue was purified by column chromatography(hexane/AcOEt=10 : 1) to provide 2, 6-dibromo-4-tert-butylphenol108) (29 g, 92percent) as a white solid. 1H-NMR(400 MHz, CDCl3) δ: 1.26 (9H, s), 5.71 (1H, br s), 7.42 (2H, s).General procedure: A solution of the starting material (~10 mmol) and pTsOH (10 mol percent) in MeOH (1.0 mL per mmol starting material) was stirred for 10 min, then a solution of NBS (100 mol percent; recrystallized from H
Computed Properties
Molecular Weight:308.01
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:307.92344
Monoisotopic Mass:305.92549
Topological Polar Surface Area:20.2
Heavy Atom Count:13
Complexity:164
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes