4-BROMO-2,3-DIMETHYLPHENOL
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4-BROMO-2,3-DIMETHYLPHENOL
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CAS No:
22802-37-5
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Formula:
C8H9BrO
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Chemical Name:
4-BROMO-2,3-DIMETHYLPHENOL
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Synonyms:
4-BROMO-2,3-DIMETHYLPHENOL;Phenol, bromodimethyl-;Phenol,4-bromo-2,3-dimethyl-;2,3-Dimethyl-4-bromophenol;4-bromo-2,3-dimethyl-phenol;SCHEMBL1765685;CTK4F0208;DTXSID00553561;MFCD07778969;ZINC11949634
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CAS No:
4-BROMO-2,3-DIMETHYLPHENOL Use and Manufacturing
General procedure: To a magnetic solution of aromatic compound (1 mmol)in acetonitrile (5 mL), OXBTEATB (0.233 g, 0.5 mmol) wasadded and stirred at room temperature for the appropriatetime (Table 1). The reaction was monitored by TLC (eluent:n-hexane/ethyl acetate: 5/1). The reaction mixture was transferredinto a separatory funnel after filtration of OXBTEABand was extracted with water (15 mL) and dichloromethane(20 mL). The organic layer was dried over anhydrousNa2SO4, and the solvent was concentrated in a rotary evaporator.The crude product was purified by passing it over acolumn of silica gel using a mixture of n-hexane and ethylacetate as the eluent. In order to regenerate the reagent, whitesolid was treated with liquid bromine. All the product structureswere confirmed by comparison of melting point or 1HNMR spectra with ones reported in the literature [29a-29e].
Computed Properties
Molecular Weight:201.06
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:199.98368
Monoisotopic Mass:199.98368
Topological Polar Surface Area:20.2
Heavy Atom Count:10
Complexity:116
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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