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Chemical Structure| 96558-72-4 Chemical Structure| 96558-72-4

Structure of 96558-72-4

Chemical Structure| 96558-72-4

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Product Details of [ 96558-72-4 ]

CAS No. :96558-72-4
Formula : C6H2Br3NO2
M.W : 359.80
SMILES Code : O=[N+](C1=CC=C(Br)C(Br)=C1Br)[O-]

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Application In Synthesis of [ 96558-72-4 ]

* 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 [ 96558-72-4 ]

[ 96558-72-4 ] Synthesis Path-Downstream   1~2

  • 2
  • [ 608-21-9 ]
  • [ 96558-72-4 ]
YieldReaction ConditionsOperation in experiment
82% With nitric acid; In 1,2-dichloro-ethane; at 0℃; for 1h; In a 250-mL round-bottom flask was dissolved 5.00 g (15.9 mmol) of 23 in 100 mL of 1,2-dichloroethane and the mixture cooled to 0 C. To the vigorously stirred solution at 0 C was added 7.00 mL (159 mmol) of fuming HNO3 dropwise over 15 minutes. The mixture was stirred at 0 C for 1 h and then poured over 500 mL of ice. After 30 minutes, 100 mL of CH2Cl2 was added and the organic layers extracted with water (3 x 100 mL), saturated NaHCO3 (3 x 100 mL), brine (100 mL), and then dried over anhydrous magnesium sulfate. The contents were filtered and concentrated under reduced pressure. The crude material was recrystallized from hexanes to give 4.74 g (82%) of 2,3,4-tribromonitrobenzene 24 as an off-white solid: mp = 82-84 C. 1H NMR (CDCl3): d 7.76 (d, J = 8.6 Hz, 1H), 7.51 (d, J = 8.6 Hz, 1H); 13C NMR (CDCl3): d 132.6, 132.5, 131.1, 130.1, 123.7, 118.7; HRMS (EI) m/e calcd for C6H2Br3NO2 356.7635, found 356.7633. This compound has been reported in the literature, but no spectral or physical data except melting point was given: Chen, G.; Konstantinov, A. D.; Chittim, B. G.; Joyce, E. M.; Bols, N. C.; Bunce, N. J. Environ. Sci. Tech. 2001, 35, 3749-3756.
 

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