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Chemical Structure| 1513849-41-6 Chemical Structure| 1513849-41-6

Structure of 1513849-41-6

Chemical Structure| 1513849-41-6

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Product Details of [ 1513849-41-6 ]

CAS No. :1513849-41-6
Formula : C10H11NO4
M.W : 209.20
SMILES Code : O=C(OC)C1=CC=C(C(N)=O)C=C1OC
MDL No. :MFCD28403646
InChI Key :GXXOWHAUABVVRT-UHFFFAOYSA-N
Pubchem ID :90019463

Safety of [ 1513849-41-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis of [ 1513849-41-6 ]

* 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 [ 1513849-41-6 ]

[ 1513849-41-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 406719-76-4 ]
  • [ 1513849-41-6 ]
YieldReaction ConditionsOperation in experiment
94% With dihydrogen peroxide; potassium carbonate; In dimethyl sulfoxide; at 0 - 20℃; To a solution of methyl 4-cyano-2-methoxy-benzoate (Intermediate 56; 527 mg, 2.75 mmol) in 10 mL of DMSO was added potassium carbonate (57 mg, 0.41 mmol) and the temperature was lowered to 0 C. Hydrogen peroxide (310 uL, 3.03 mmol) was added dropwise and the mixture was stirred at room temperature overnight.The next day the reaction is finished. Water was added but no precipitate appeared. The mixture was extracted with DCM (x 3) and washed with water (there is product in the aqueous phase). The organic was dried over anh. MgS04, filtered and evaporated to give 543 mg 94% yield) of a white solid. HPLC-MS: tr = 1.60 min. (93 %). LRMS (m/z): 210 (M+l) 1H NMR (400 MHz, DMSO-d6) d ppm 3.80 (s, 3H), 3.87 (s, 3H), 7.49 (d, J = 9.4 Hz, 1H), 7.56 (d, J = 8.4 Hz, 2H), 7.68 (d, J = 7.9 Hz, 1H), 8.12 (s, 1H).
 

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