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Chemical Structure| 135049-82-0 Chemical Structure| 135049-82-0

Structure of 135049-82-0

Chemical Structure| 135049-82-0

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Product Details of [ 135049-82-0 ]

CAS No. :135049-82-0
Formula : C9H11IO
M.W : 262.09
SMILES Code : CC(C)OC1=CC=C(I)C=C1
MDL No. :MFCD11183231

Safety of [ 135049-82-0 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 135049-82-0 ]

* 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 [ 135049-82-0 ]

[ 135049-82-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 7343-33-1 ]
  • [ 135049-82-0 ]
  • 3-bromo-1-(4-isopropoxyphenyl)-1H-1,2,4-triazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
23% With copper(l) iodide; caesium carbonate; In dimethyl sulfoxide; at 100℃; for 20h;Inert atmosphere; Example 1Preparation of 3-bromo-1-(4-isopropoxyphenyl)-1H-1,2,4-triazole <strong>[7343-33-1]3-bromo-1H-1,2,4-triazole</strong> (1.75 g, 11.8 mmol), copper(I) iodide (0.370 g, 1.94 mmol), cesium carbonate (4.98 g, 15.3 mmol), and 1-iodo-4-isopropoxybenzene (2.04 g, 7.78 mmol) (Katsumatu, T., et al. Macromolecular Chemistry and Physics, 2009, 210 (22), 1891-1902) was placed in dimethylsulfoxide (50 mL) and degassed with nitrogen for 10 minutes. The solution was heated at 100° C. for 20 hours. After cooling to room temperature, the reaction mixture was diluted with ethyl acetate and filtered through Celite®. The resulting filter cake was rinsed with additional ethyl acetate (100 mL). The filtrate was washed with water (2*50 mL). The combined aqueous washes were neutralized with hydrochloric acid (2 N) as measured by pH paper. The aqueous solution was extracted with ethyl acetate (2*30 mL) and the organic extracts were combined, and then dried over anhydrous magnesium sulfate. The organic solution was concentrated onto Celite® and purified by silica gel chromatography using 0-100percent ethyl acetate/hexanes as eluent. The relevant fractions were concentrated to obtain the title compound as a yellow oil (0.540 g, 23percent): 1H NMR (400 MHz, CDCl3) delta 8.31 (s, 1H), 7.51 (d, J=9.1 Hz, 2H), 6.98 (d, J=9.0 Hz, 2H), 4.59 (p, J=6.1 Hz, 1H), 1.36 (d, J=6.1 Hz, 6H); ESIMS m/z 283 ([M+H]+).
 

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