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Chemical Structure| 1988-55-2 Chemical Structure| 1988-55-2

Structure of 1988-55-2

Chemical Structure| 1988-55-2

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Product Details of [ 1988-55-2 ]

CAS No. :1988-55-2
Formula : C9H7F5O
M.W : 226.14
SMILES Code : OCCCC1=C(F)C(F)=C(F)C(F)=C1F

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Application In Synthesis of [ 1988-55-2 ]

* 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 [ 1988-55-2 ]

[ 1988-55-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 2002-92-8 ]
  • [ 1988-55-2 ]
YieldReaction ConditionsOperation in experiment
95% With borane-THF; In tetrahydrofuran; at 20℃; for 3.5h;Inert atmosphere; <strong>[2002-92-8]3-pentafluorophenylpropanoic acid</strong> (11, 1.91 g, 7.95 mmol) was dissolved in dry THF (110 mL) and treated at room temperature with BH3-THF (13.23 mL) under N2 atmosphere. The mixture was stirred at room temperature for 3.5 h. The excess of hydride was quenched at 0 C with water (120 mL). The mixture was acidified with hydrochloric acid (3 M), and extracted with diethyl ether (4 * 100 mL). The organic phases were combined and dried over MgSO4, filtered and concentrated. The crude product was purified by chromatography (silica gel, hexane/AcOEt, 80:20, v/v) to give 3-pentafluorophenylpropan-1-ol (12) as a colorless oil (1.70 g, 95%). 1H NMR (400 MHz, CDCl3) δ = 3.72 (t, 2H, J = 6.2 Hz, -CH2OH), 2.87-2.82 (m, 2H, -CH2-), 1.92-1.85 (m, 2H, -CH2-), 1.46 (s, 1H, -OH) ppm. 19F NMR (377 MHz, CDCl3) δ = -144.29 (m, 2F), -157.73 (t, 1F, J = 20.8 Hz), -162.68 to -162.82 (m, 2F) ppm. 13C NMR (101 MHz, CDCl3) δ = 146.42-146.15 (m, C-F), 143.99-143.68 (m, C-F), 140.98-140.60 (m, C-F), 138.83-138.16 (m, C-F), 136.34-135.97 (m, C-F), 115.02-114.60 (m, Car), 61.60 (s, -CH2OH), 31.89 (s, -CH2-), 18.80 (s, -CH2-) ppm.
 

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