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Chemical Structure| 338399-29-4 Chemical Structure| 338399-29-4

Structure of 338399-29-4

Chemical Structure| 338399-29-4

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Product Details of [ 338399-29-4 ]

CAS No. :338399-29-4
Formula : C13H12N2O3
M.W : 244.25
SMILES Code : O=C1NC(C(C(C)=O)=CN1CC2=CC=CC=C2)=O
MDL No. :MFCD00172971

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Application In Synthesis of [ 338399-29-4 ]

* 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 [ 338399-29-4 ]

[ 338399-29-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 6214-65-9 ]
  • [ 100-39-0 ]
  • [ 338399-29-4 ]
YieldReaction ConditionsOperation in experiment
39% Under nitrogen, a suspension of <strong>[6214-65-9]5-acetyluracil</strong> (200mg, 1.298mmol) and NaH (60% in oil, 52mg, 1.300mmol) in DMF (6.5mL) was stirred at room temperature for 90m. A solution of benzyl bromide (200.6mg, 1.173mmol) in DMF (6.5mL) was added dropwise over 30min and the mixture was stirred at room temperature for 3d. Following concentration under reduced pressure, purification by column chromatography (ethyl acetate-petroleum ether 1:1) and recrystallisation (methanol), product 34 (123mg, 0.504mmol, 39% yield) was obtained as colourless needles; Mp 196-198C; (found (ESI): M++Na, 267.0740. C13H12N2NaO3 requires M, 267.0740); numax 3486, 3408, 1724, 1640, 1599, 1554, 1510, 1450, cm-1; deltaH (400MHz, CDCl3) 8.63 (1H, br s, NH), 8.26 (1H, s, CH), 7.44-7.30 (5H, m, ArH), 4.99 (2H, s, CH2), 2.59 (3H, s, CH3); deltaC (151MHz, DMSO-d6) 193.5, 161.7, 151.5, 150.4, 136.2, 128.7, 127.9, 127.7, 111.8, 51.0, 30.3; m/z (ESI) 267.1 (M++Na). The crystals obtained were of sufficient quality for X-diffraction, enabling confirmation of the structure.
 

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