1-tert-Butyl-4-iodobenzene
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1-tert-Butyl-4-iodobenzene
structure -
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CAS No:
35779-04-5
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Formula:
C10H13I
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Chemical Name:
1-tert-Butyl-4-iodobenzene
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Synonyms:
Benzene,1-(1,1-dimethylethyl)-4-iodo-;Benzene,1-tert-butyl-4-iodo-;1-(1,1-Dimethylethyl)-4-iodobenzene;1-tert-Butyl-4-iodobenzene;p-Iodo-tert-butylbenzene;p-tert-Butylphenyl iodide;p-tert-Butyliodobenzene;4-tert-Butylphenyl iodide;4-tert-Butyliodobenzene;4-tert-Butyl-1-iodobenzene;4-Iodo-1-tert-butylbenzene;1-Iodo-4-tert-butylbenzene;4-t-Butyl-1-iodobenzene
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CAS No:
Characteristics
0
5.1
1.4392 g/cm3 @ Temp: 14 °C
78°C (estimate)
253-254 °C @ Press: 160 Torr
>230 °F
1.559
Safety Information
LIGHT SENSITIVE
NONH for all modes of transport
3
36
26-36
Xi
Light Sensitive
P305 + P351 + P338
H319
|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 45 companies from 3 notifications to the ECHA C&L Inventory.
1-tert-Butyl-4-iodobenzene Use and Manufacturing
General procedure: (4-Nitrophenyl)boronic acid (0.067 g, 0.4 mmol), copper powder (0.0052 g, 0.08 mmol, ), (CFGeneral procedure: 0.05 mmol Cu(NOGeneral procedure: A mixture of the arylboronic acid (0.55mmol), KF (96mg, 1.65mmol) and IGeneral procedure: Typical procedure. To a solution of 1, 2-dimethylbenzene (0.106 g, 1 mmol) in acetonitrile (10 mL), iodine (1 mmol. 0.126 g) and polymer-supported periodic acid (0.6 g, 1.05 mmol) were added and the mixture was stirred for 1 hour at 40 °C. The reaction progress was monitored by thin layer chromatography (TLC) using a mixture of ethyl acetate and n-hexane (1:9 v/v) as solvent. After completion of the reaction, the mixture was cooled to room temperature and filtered. The excess of iodine was removed from the filtrate by drop wise addition of sodium bisulfite solution (1 M). The organic layers were separated, dried over magnesium sulfate, filtered, and the solvent was removed by evaporation. The residue was purified by column chromatography on silica gel using n-hexane and ethyl acetate. The related product was obtained with 95percent isolated yield, b.p.: 235 °C (lit. [18] b.p.: 234 °C).In an oven-dried 10 mL round-bottom flask equipped with a magnetic stirrer bar, di(4-(tertbutyl)phenyl)iodonium triflate (S1, 81 mg, 0.15 mmol), Ir(ppy)
Computed Properties
Molecular Weight:260.11
XLogP3:5.1
Rotatable Bond Count:1
Exact Mass:260.00620
Monoisotopic Mass:260.00620
Heavy Atom Count:11
Complexity:115
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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