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Chemical Structure| 114657-15-7 Chemical Structure| 114657-15-7

Structure of 114657-15-7

Chemical Structure| 114657-15-7

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Product Details of [ 114657-15-7 ]

CAS No. :114657-15-7
Formula : C8H8BrF
M.W : 203.05
SMILES Code : FCC1=CC=C(CBr)C=C1
MDL No. :MFCD20482742

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Application In Synthesis of [ 114657-15-7 ]

* 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 [ 114657-15-7 ]

[ 114657-15-7 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 71831-21-5 ]
  • [ 114657-15-7 ]
YieldReaction ConditionsOperation in experiment
69.7% With diethylamino-sulfur trifluoride; In dichloromethane; at 0℃; for 1h;Inert atmosphere; (ii) Synthesis of Compound (28) (4-Fluoromethylbenzyl bromide) (see Non-patent Literature 17 (Ichikawa, J.; Sugimoto, K.; Sonoda, T.; Kobayashi, H., Chem. Lett. 1987, 10, 1985-1988)); Under argon atmosphere, (diethylamino)sulfur trifluoride (DAST) (660 muL, 5.04 mmol) was added to a CH2Cl2 (10 mL) solution of Compound (27) (500 mg, 2.49 mmol) at 0 °C, and the mixture was stirred at 0 °C for 1 hour. NaHCO3-saturated aqueous solution was added to the mixture, and the mixture was extracted with CH2Cl2 (50 mL .x. 3). All the organic phases were mixed, rinsed with water (50 mL .x. 3), dried (Na2SO4), filtered, and concentrated under reduced pressure. The residue was purified by flash column chromatography (30 g of silica gel, n-hexane/Et2O = 50/1) to obtain Compound (28) (yellowish white solid, 352 mg, 69.7percent). TLC Rf = 0.52 (n-hexane/EtOAc = 6/1) 1H NMR (300 MHz, CDCl3) delta 4.50 (s, 2H, benzylic CH2), 5.38 (d, 2H, JH-F = 47.6 Hz, benzylic CH2), 7.33-7.40 (AA'BB', 2H, aromatic), 7.41-7.47 (AA'BB', 2H, aromatic).
 

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