4-Bromo-3,5-dimethylphenol
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4-Bromo-3,5-dimethylphenol
structure -
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CAS No:
7463-51-6
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Formula:
C8H9BrO
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Chemical Name:
4-Bromo-3,5-dimethylphenol
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Synonyms:
Phenol,4-bromo-3,5-dimethyl-;3,5-Xylenol,4-bromo-;4-Bromo-3,5-dimethylphenol;4-Bromo-3,5-xylenol;NSC 404385;3,5-Dimethyl-4-bromophenol;2-Bromo-3-methyl-5-hydroxytoluene
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CAS No:
4-Bromo-3,5-dimethylphenol Basic Attributes
201.063
201.06
231-255-8
404385
DTXSID40225614
2908199090
Characteristics
20.2
2
white to off-white crystalline powder
1.5±0.1 g/cm3
116 °C
259ºC
115.4±25.9 °C
1.580
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S37/39
Xi:Irritant;
Stable at room temperature in closed containers under normal storage and handling conditions.
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 203 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Bromo-3,5-dimethylphenol Use and Manufacturing
General procedure: To a mixture of anilines or phenols (0.7 mmol) the brominatingagent (1) (0.72 g, 0.7 mmol) in dichloromethane(30 ml)-methanol (15 ml) was added. The reactionmixture was stirred at room temperature until decolorizationof the orange solution took place. The progress of thereaction was monitored by TLC (eluent: n-hexane/ethylacetate, 7:3). After completion of the reaction, the solventwas evaporated and diethyl ether (10 ml) was added to theresidue. The supernatant was decanted and the insolubleresidue was washed by ether (3 × 10 ml). The combinedether extracts were dried on magnesium sulfate and also evaporated under vacuum to afford monobromo anilines ormonobromo phenols which was purified by flash columnchromatography over silica gel (n-hexane/ethyl acetate, 7:3).A 20.9 mg (0.171 mmol) of 'compound 24' was dissolved in 210 μl of 1, 2, 5-thiadiazole, to which 29.3 mg (0.102 mmol) of 1, 3-dibromo 5, 5-dimethylhydantoin was added at room temperature under nitrogen atmosphere. On completion of reaction, 200 μl of water was added to the system, which was then subjected to separation operation. The system was evaporated under reduced pressure, and the residue was purified by silica gel column chromatography (n-hexane:ethyl acetate=10:1), to give 28.5 mg (83percent yield) of 'compound 25' in the form of a while solid.The same reaction as in Example 7 was elicited except that the solvent was changed to dichloromethane, and compound 25 was produced at an yield of 83percent.3, 5-dimethylphenol (2.44g, 20.0mmol) was dissolved in 20mL of chloroform, bromine (1.0mL, 21.0mmol) was dissolved in 10mL of chloroform was slowly added dropwise to the solution at room temperature the reaction 1h. Washed with sodium thiosulfate solution, washed with water to separate the organic phase was chromatographed on silica gel, petroleum ether / ethyl acetate to give a white solid 800mg, yield 20.0percent.
Computed Properties
Molecular Weight:201.06
XLogP3:2
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:104
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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