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Chemical Structure| 130029-61-7 Chemical Structure| 130029-61-7

Structure of 130029-61-7

Chemical Structure| 130029-61-7

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Product Details of [ 130029-61-7 ]

CAS No. :130029-61-7
Formula : C10H8F3NO3
M.W : 247.17
SMILES Code : O=C(O)C1=CC=C(CNC(C(F)(F)F)=O)C=C1

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Application In Synthesis of [ 130029-61-7 ]

* 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 [ 130029-61-7 ]

[ 130029-61-7 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 130029-61-7 ]
  • [ 171723-95-8 ]
YieldReaction ConditionsOperation in experiment
92% With dimethylsulfide borane complex; In tetrahydrofuran; at 0 - 20℃; Borane dimethylsulfide (13.8 mL, 145 mmol) was added dropwise to an anhydrous THF (483 mL) solution of benzoic acid 2 (11.9 g, 48.3 mmol) while maintaining an internal temperature of 0 C. After complete addition the ice bath was removed and the mixture was stirred at rt overnight. The reaction was quenched with MeOH (100 mL) and stirred at rt for an additional 1 hr. The volatiles were removed and the residue taken up in EtOAc. Impurities were removed by successive washes with 1M NaOH, H2O, and brine. The organics were then dried over Na2SO4 filtered, and concentrated in vacuo. Subsequent column chromatographic purification of the residue, eluting with 20: 1 (CH2CL MeOH), provided acetamide 3 (10.4 g, 92%) as a white solid. lH NMR (500 MHz, CDCl3-d) d 7.35 (d, J= 8.2 Hz, 1H), 7.27 (d, J= 8.0 Hz, 1H), 4.67 (s, 1H), 4.50 (d, .7=5.8 Hz, 1H). 13CNMR(125 MHz, CDC13-d) d 157.32 (q,J= 36.7 Hz), 141.11, 135.33, 128.29, 127.67, 115.97 (q, 287.8 Hz), 64.90, 43.75.
 

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