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Chemical Structure| 39513-24-1 Chemical Structure| 39513-24-1

Structure of 39513-24-1

Chemical Structure| 39513-24-1

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Product Details of [ 39513-24-1 ]

CAS No. :39513-24-1
Formula : C7H6N2O2
M.W : 150.13
SMILES Code : O=C1NC2C(=CC=C(C=2)O)N1
MDL No. :MFCD18814458

Safety of [ 39513-24-1 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 39513-24-1 ]

* 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 [ 39513-24-1 ]

[ 39513-24-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 39513-24-1 ]
  • [ 19064-24-5 ]
  • [ 1001413-44-0 ]
YieldReaction ConditionsOperation in experiment
21% With potassium tert-butylate; In tetrahydrofuran; N,N-dimethyl-formamide; at 20℃; Compound 44.1 (230 mg, 1.53 mmol) and 2,6-difluronitrobenzene (252 mg, 1.58 mmol) were dissolved in 8 ml dry DMF and 1.6 ml of 1 M potassium t-butoxide in THF was added. The reaction was stirred at room temperature overnight, then flooded with 50 ml EtOAC, rinsed with 2 x 25 ml saturated sodium bicarbonate, 25 ml brine, dried over sodium sulfate, filtered, and evaporated partially to dryness. The solid was resuspended in 5 ml dry THF and filtered to yield 58 mg of yellow solid. The remaining solution was purified by column chromatography using a 15.5 x 2.5 cm column and eluting with 95 : 5 DCM : methanol to yield an additional 43 mg of off-white solid. Both of these were combined to yield a total of 92 mg (0.318 mmol, 21%). ES (+) MS m/e = 290 (M+l).
 

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