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Chemical Structure| 96602-46-9 Chemical Structure| 96602-46-9

Structure of 96602-46-9

Chemical Structure| 96602-46-9

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Product Details of [ 96602-46-9 ]

CAS No. :96602-46-9
Formula : C11H8N4O5
M.W : 276.21
SMILES Code : OC1=CC(N=[N+]=[N-])=CC=C1C(ON2C(CCC2=O)=O)=O
MDL No. :MFCD00054966

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Application In Synthesis of [ 96602-46-9 ]

* 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 [ 96602-46-9 ]

[ 96602-46-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 134272-64-3 ]
  • [ 96602-46-9 ]
  • [ 1431319-49-1 ]
YieldReaction ConditionsOperation in experiment
30.8% With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 0 - 20℃; To a solution of 4-azido-2-hydroxybenzoic acid N-hydroxysuccinimide ester (28 mg, 0.10 mmol) and N-(2-aminoethyl)maleimide hydrochloride (27 mg, 0.15 mmol) in DMF (250 muL) was added (i-Pr)2NEt (53 muL, 0.30 mmol) dropwise at 0 C. The reaction was allowed to warm room temperature, and stirred for 30 min. The reaction mixture was diluted with EtOAc, and then washed with 10% citric acid, H2O and brine. The organic layer was dried over Mg2SO4, and the solution was filtered, concentrated, and flash-chromatographed on silica gel to provide 1 (9.4 mg, 30.8%) as a pale yellow solid: mp >300 C; 1H NMR (CDCl3) delta 3.64 (m, 2H), 3.86 (t, J = 5.2 Hz , 2H) 6.53 (dd, J = 2.3 and 8.6 Hz, 1H) 6.62 (d, J = 2.3 Hz, 1H) 6.77 (s, 2H) 7.36 (d, J = 8.6 Hz, 1H); 13C NMR (CDCl3) delta 37.1, 39.9, 108.1, 110.1, 110.8, 127.2, 134.4, 146.0, 163.1, 169.8, 171.2. MS (ESI), calcd for C13H12N5O4 [M + H]+ 302.1, found 302.1
 

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