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Chemical Structure| 76646-91-8 Chemical Structure| 76646-91-8

Structure of 76646-91-8

Chemical Structure| 76646-91-8

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Product Details of [ 76646-91-8 ]

CAS No. :76646-91-8
Formula : C8H9Br2NO5S
M.W : 391.03
SMILES Code : [H][C@@]1(S(C2(C)C)(=O)=O)C(Br)(Br)C(N1[C@H]2C(O)=O)=O
MDL No. :MFCD28137728

Safety of [ 76646-91-8 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H315-H317-H318
Precautionary Statements:P261-P264-P270-P272-P280-P301+P312+P330-P302+P352-P305+P351+P338+P310-P333+P313-P501

Application In Synthesis of [ 76646-91-8 ]

* 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 [ 76646-91-8 ]

[ 76646-91-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 7439-95-4 ]
  • [ 2040-05-3 ]
  • [ 76646-91-8 ]
  • [ 68373-14-8 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride; In hexane; water; ethyl acetate; acetone; EXAMPLE 1 To a well-stirred solution of 6.0 g (purity by 60 MHz NMR spectrum in acetone-d6 using 2,6-dichloroacetophenone as the reference: 97.35percent; 14.9 mmol) of 6,6-dibromo-penicillanic acid-1,1-dioxide in 150 ml of ethyl acetate and 35 ml of water kept at -2° to 3° C. was added portionwise 3.8 g of magnesium powder, while maintaining the pH of the reaction at 3.5 with 4N hydrochloric acid. The contents were stirred for another 2 hours while maintaining the pH at 3.5 with 4N hydrochloric acid and the temperature at -2° to 3° C. Then, the solid was filtered, washed with water and ethyl acetate and the combined filtrate was adjusted to a pH of 2.0 with 4N hydrochloric acid whereupon the layers were separated. The aqueous layer was extracted 3 times with 80 ml of ethyl acetate, after which the combined extracts were washed with brine (2* 60 ml), dried over anhydrous magnesium sulfate and filtered. The filtrate was evaporated to dryness under reduced pressure to obtain a white solid product which was taken up in n-hexane. The solution was filtered and the filtrate was evaporated to dryness under reduced pressure to obtain 3.125 g of penicillanic acid-1,1-dioxide with a purity by 360 MHz spectrum of 96.3percent giving a yield of 87percent.
 

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