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Chemical Structure| 13138-78-8 Chemical Structure| 13138-78-8

Structure of 13138-78-8

Chemical Structure| 13138-78-8

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Product Details of [ 13138-78-8 ]

CAS No. :13138-78-8
Formula : C6H6N2O4
M.W : 170.12
SMILES Code : O=C(C1=CC([N+]([O-])=O)=CN1C)O
MDL No. :MFCD02180913

Safety of [ 13138-78-8 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302
Precautionary Statements:P280-P305+P351+P338

Application In Synthesis of [ 13138-78-8 ]

* 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 [ 13138-78-8 ]

[ 13138-78-8 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 13754-19-3 ]
  • [ 13138-78-8 ]
  • [ 682748-60-3 ]
  • 2
  • [ 13138-78-8 ]
  • [ 128293-62-9 ]
  • [ 142211-80-1 ]
  • 3
  • [ 22600-30-2 ]
  • [ 13138-78-8 ]
  • [ 1152018-43-3 ]
YieldReaction ConditionsOperation in experiment
21% Oxalyl Chloride (6.88 g, 4.73 mmol, 54.2 mmol, 1.2 eq) was added to a suspension of the nitro acid 23 (7.68 g, 45.2 mmol, 1 eq) in anhydrous DCM (150 ml). DMF (3 drops) was added and the suspension was allowed to stir at room temperature under a nitrogen atmosphere for 18 hours. The solvent was evaporated under reduced pressure and the residue was redissolved in anhydrous THF (150 ml). The solution was added dropwise to a solution of 5-amino-furan-2-carboxylic acid methyl ester 24 (7.65 g, 54.2 mmol, 1.2 eq) and triethylamine (11.4 g, 15.7 ml, 113 mmol, 2.5 eq) in anhydrous THF (150 ml) at 0C.The resultant solution was allowed to stir at room temperature for 18hours. The reaction mixture was filtered, the filtrate was evaporated under reduced pressure and the residue triturated with DCM to give the solid product (2.81 g, 21 %). This was used without further purification. 1H NMR (DMSO-c/6) δ 11.84 (s, 1H), 8.26 (s, 1 H), 7.88 (s, 1H), 7.365 (d, J = 3.2 Hz, 1H), 6.53 (d, J = 2.8 Hz, 1H), 3.975 (s, 3H), 3.82 (s, 3H); MS (ES") mlz 292.367 ([M - H]", 100).
 

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