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Chemical Structure| 31385-63-4 Chemical Structure| 31385-63-4

Structure of 31385-63-4

Chemical Structure| 31385-63-4

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Product Details of [ 31385-63-4 ]

CAS No. :31385-63-4
Formula : C6H5BrN2O4
M.W : 249.02
SMILES Code : O=C(O)CN(C(N1)=O)C=C(Br)C1=O
MDL No. :MFCD01416486

Safety of [ 31385-63-4 ]

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 [ 31385-63-4 ]

* 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 [ 31385-63-4 ]

[ 31385-63-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 31385-63-4 ]
  • [ 78287-27-1 ]
  • C28H23BrN4O7 [ No CAS ]
YieldReaction ConditionsOperation in experiment
80% General procedure: The corresponding uracil or 5'-substituted uracil 1'(N)-acetic acid, one of the key intermediates 5a-e (1.2 mmol), was dissolved in 20 mL of anhydrous pyridine which had been pre-treated by 4 A molecular sieves and KOH more than 48 h at rt. To this solution, EDCI (1.5 mmol) and DMAP (0.2e0.6 mmol) were added slowly at 0 °C, and this mixture was stirred for 10 min or some longer time until a clear solution was obtained. Under an N2 atmosphere, CPTs like CPT, 9-NO2-CPT or 7-Et-CPT (0.4 mmol) was added in one portion. The reaction mixture was allowed to warm to r.t. and stirred for 12-36 h. After the reaction was completed, as monitoredby TLC, the reaction mixture was diluted by adding CH2Cl2 (40 mL)and aqueous 1 N HCl solution (30 mL). The mixture was stirred foran additional 30 min, and two layers were separated. The aqueous layer was extracted with CH2Cl2 (30 mL x 3). The combined organic layers were dried over Na2SO4, filtered, and concentrated in vacuo. The crude residue was purified by flash column chromatography on Silicon gel with CHCl3-MeOH (10:1-20:1) as eluent to give 6-20. NMR spectra of all the new compounds 6-20 are provided as Supporting Information.
 

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