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Chemical Structure| 62938-08-3 Chemical Structure| 62938-08-3

Structure of 62938-08-3

Chemical Structure| 62938-08-3

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Product Details of [ 62938-08-3 ]

CAS No. :62938-08-3
Formula : C15H23Br
M.W : 283.25
SMILES Code : CC(C1=CC(C(C)(C)C)=CC(CBr)=C1)(C)C
MDL No. :MFCD03701623
InChI Key :SNRYBGHMHAJTTM-UHFFFAOYSA-N
Pubchem ID :4447507

Safety of [ 62938-08-3 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H314
Precautionary Statements:P280-P305+P351+P338-P310
Class:8
UN#:3261
Packing Group:

Application In Synthesis of [ 62938-08-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 62938-08-3 ]

[ 62938-08-3 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 15181-11-0 ]
  • [ 62938-08-3 ]
YieldReaction ConditionsOperation in experiment
61% With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; for 5h;Heating / reflux; 3,5-Bis(t-butyl)-1-methylbenzene(200 mg, 0.98 mmol) was dissolved in carbon tetrachloride(4 ml), and then N-bromosuccinimide(192 mg, 1.08 mmol) and AIBN(alpha,alpha'-azabisisobutyronitrile)(2 mg) were added thereto. The mixture was heated under reflux and stirred for 5 hours. The filtrate obtained from the filtration of the reaction mixture was evaporated under reduced pressure to give 170 mg(yield 61%) of a pale yellow oil. [00447] 1H-NMR(300 MHz, CDCl3) delta: 1.30(s, 18H) 4.52(s, 2H), 7.21(s, 2H), 7.38(s, 1H)
With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; a 3,5-Di-t-butylbenzyl bromide 3,5-Di-t-butyltoluene (5 g), N-bromosuccinimide (4.79 g) and azobisisobutyronitrile (20 mg) were dissolved in carbon tetrachloride (30 ml) and the solution was heated at reflux for 3 h. When cool, a white solid was removed by filtration, and the filtrate was concentrated yielding a yellow oil, which was used without further purification. 1 H NMR (360 MHz, CDCl3) delta1.30 (18H, s, CH3), 4.45 (2H, s, CH2), 7.2 (2H, d, J=1.75 Hz, ArH), 7.4 (1H, s, ArH).
  • 3
  • [ 62938-08-3 ]
  • [ 15181-11-0 ]
YieldReaction ConditionsOperation in experiment
13%Chromat. With C33H30F3N2NiO2P; tert-butylmagnesium chloride; In tetrahydrofuran; diethyl ether; at 20℃; for 24h;Schlenk technique; Inert atmosphere; General procedure: A Schlenk flask was charged with an appropriate amount of complex 6 (0.05mmol, 5.0molpercent) and the corresponding bromo, chloro, fluoro or iodo arene (1.0mmol). The flask was cycled with nitrogen and vacuum. Afterwards THF (2.0mL) and a diethylether solution of tert-butyl-magnesiumchloride (0.75mL, 1.5mmol, 2.0M in diethylether) were added. The flask was sealed and heated at 70°C for 24h or stirred at room temperature. After that time, the mixture was cooled and a NH4Cl solution was added. The mixture was extracted with dichloromethane and the organic layer was dried with Na2SO4. n-Dodecane was added and an aliquot was taken for GC?MS analysis. The coupling products were confirmed by GC?MS and NMR analysis using n-dodecane as internal standard. The analytical properties of the products are in agreement with literature data.
 

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