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Chemical Structure| 1420879-02-2 Chemical Structure| 1420879-02-2

Structure of 1420879-02-2

Chemical Structure| 1420879-02-2

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Product Details of [ 1420879-02-2 ]

CAS No. :1420879-02-2
Formula : C5H8F3NS
M.W : 171.18
SMILES Code : S=C(NCCC)C(F)(F)F
MDL No. :MFCD26792891

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Application In Synthesis of [ 1420879-02-2 ]

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  • Downstream synthetic route of [ 1420879-02-2 ]

[ 1420879-02-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 107-10-8 ]
  • [ 421-52-3 ]
  • [ 1420879-02-2 ]
YieldReaction ConditionsOperation in experiment
72% In chloroform; at 20℃; for 96h; General procedure: Amine (2.0mmol) was added to a solution of polyfluoroalkanethioamide (1a,b) (1.0 mmol) in chloroform (15 mL). The reaction mixture was stirred at room temperature for 4 days. Then the solvent was evaporated in vacuo and the crude product was purified by column chromatography on silica gel to give the corresponding thioamide (2a-c). 3.2.1. N-Propyl-<strong>[421-52-3]2,2,2-trifluoroethanethioamide</strong> (2a). It was purified by chromatography on silica gel, eluting with a mixture (8:2) of hexane and ethyl acetate. Yield: 72%. Yellow liquid. Rf = 0.65 (hexane/ethyl acetate 8:2). 1H NMR (CDCl3, d ppm): 1.02 (t,3JH,H = 7.2 Hz, 3H, CH3), 1.75 (m, 2H, CH2), 3.65 (m, 2H, NCH2), 8.13 (bs, 1H, NH). 19F NMR (CDCl3, d ppm): 70.6 (s, CF3). 13C NMR(CDCl3, d ppm): 11.3 (s, CH3), 20.8 (s, CH2), 47.4 (s, NCH2), 117.4 (q, 1JC,F = 280.1 Hz, CF3), 183.2 (q, 2JC,F = 35.5 Hz, C = S). GC-MS, m/z: 171 [M]+. Anal. Calcd for C5H8F3NS: C, 35.08; H, 4.71; N, 8.18; S, 18.73. Found: C, 35.12; H, 4.75; N, 8.23; S, 18.72.
 

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