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Chemical Structure| 939043-50-2 Chemical Structure| 939043-50-2

Structure of 939043-50-2

Chemical Structure| 939043-50-2

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Product Details of [ 939043-50-2 ]

CAS No. :939043-50-2
Formula : C10H8F2O
M.W : 182.17
SMILES Code : OCCC#CC1=CC=CC(F)=C1F
MDL No. :MFCD19626850

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Application In Synthesis of [ 939043-50-2 ]

* 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 [ 939043-50-2 ]

[ 939043-50-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 38573-88-5 ]
  • [ 927-74-2 ]
  • [ 939043-50-2 ]
YieldReaction ConditionsOperation in experiment
bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; at 20 - 65℃; for 20h; Intermediate 25; 4-(2,3-Difluorophenyl)-3-butyn-1-ol; To a solution of <strong>[38573-88-5]1-<strong>[38573-88-5]bromo-2,3-difluorobenzene</strong></strong> (10.0 g, 51.82 mmol, Aldrich) in dimethylamine (200 ml) under nitrogen were added Bis(tripheylphenylphosphine)palladium(II) dichloride (0.73 g, 1.037 mmol), copper(I) iodide (0.1 g, 0.525 mmol) and 3-butyn-1-ol (11.76 ml). The temperature was raised from ambient to 65° C. and held there with stirring for 20 h, after which the mixture was cooled and all volatiles removed by rotary evaporation. The residue was partitioned between a mixture of 2N HCl (400 ml), brine (100 ml) and dichloromethane (400 ml). A second 100 ml dichloromethane extract and the layers were separated and aqueous was washed with DCM (100 ml). Extracts were combined and the mixture passed through a hydrophobic frit and evaporated under reduced pressure to give a dark brown oil. This oil was purified using a CombiFlash.(R). Companion.(R). 330 g Redisep.(R). silica column eluting with a gradient of cyclohexane:ether (0 to 100percent) affording the title compound as a light orange oil (9.149).H.p.l.c. Rt=2.76 min.1H nmr (CDCl3) delta: 1.88 (1H, t), 2.75 (2H, t), 3.86 (2H, q), 7.01 (1H, m), 7.10 (1H, m), 7.17 (1H, m).
 

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