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Chemical Structure| 1033010-33-1 Chemical Structure| 1033010-33-1

Structure of 1033010-33-1

Chemical Structure| 1033010-33-1

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Product Details of [ 1033010-33-1 ]

CAS No. :1033010-33-1
Formula : C9H13FN2
M.W : 168.21
SMILES Code : NC1=C(F)C=CC=C1NC(C)C
MDL No. :MFCD12149481

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Application In Synthesis of [ 1033010-33-1 ]

* 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 [ 1033010-33-1 ]

[ 1033010-33-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 19064-24-5 ]
  • [ 75-31-0 ]
  • [ 1033010-33-1 ]
YieldReaction ConditionsOperation in experiment
63% Step 1: To a solution of <strong>[19064-24-5]2,6-difluoronitrobenzene</strong> (6.37 g, 40.0 mmol) in triethylamine (70 mL) under nitrogen was added dropwise isopropylamine (4.3 mL, 50 mmol, 12.5 equiv.) via an addition funnel. The reaction mixture was stirred at room temperature overnight. All volatiles were removed under reduced pressure, and the residue was dissolved in ethanol (50 mL). Palladium on carbon powder (10 wt %, 0.4 g) was added, and the mixture was stirred under hydrogen atmosphere (20 psi) for 30 min. The reaction mixture was filtered through Celite and concentrated to dryness. The crude black liquid residue was purified by Isco CombiFlash Companion column chromatography (silica gel, 120-g column, 0-15% ethyl acetate/hexane) and the resulting purple solid was recrystallized (warm hexane/-25 C.) to give pure 3-fluoro-N-isopropylbenzene-1,2-diamine as light purple crystals. Yield: 4.21 g (63%). MS (ES) m/z 168.7 ([M+H]+); HRMS: calcd for C9H13FN2+H+, 169.1136; found (ESI, [M+H]+), 169.1139.
 

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