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Chemical Structure| 39487-85-9 Chemical Structure| 39487-85-9

Structure of 39487-85-9

Chemical Structure| 39487-85-9

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Product Details of [ 39487-85-9 ]

CAS No. :39487-85-9
Formula : C9H4Cl2N2O2
M.W : 243.05
SMILES Code : O=[N+](C1=C(Cl)C2=CC(Cl)=CC=C2N=C1)[O-]
MDL No. :MFCD13689087

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Application In Synthesis of [ 39487-85-9 ]

* 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 [ 39487-85-9 ]

[ 39487-85-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1408074-83-8 ]
  • [ 39487-85-9 ]
  • tert-butyl 4-[(6-chloro-3-nitroquinolin-4-yl)amino]-3,3-difluoropyrrolidine-1-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
52% With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 20℃; for 32.0h; To a solution of C7 (13.1 g, 53.9 mmol) in acetonitrile (60 mL) was added N,Ndiisopropylethylamine (11.3 mL, 64.9 mmol), followed by addition of a solution of tertbutyl 4-amino-3,3-difluoropyrrolidine-1 -carboxylate (prepared using the methoddescribed by D. C. Behenna et al., in U.S. Patent Application 2015 0141402 Al, May21 2015; 12.0 g, 54.0 mmol) in acetonitrile (5 mL). After the reaction mixture had beenstirred at 20 °C for 32 hours, it was diluted with water (100 mL). The resulting solid wascollected by filtration and purified via chromatography on silica gel (Gradient: 0percent to25percent tetrahydrofuran in petroleum ether), affording the product as a yellow solid. Yield:12.0 g, 28.0 mmol, 52percent. LCMS m/z 428.7 (chlorine isotope pattern observed) [M+H].1H NMR (400 MHz, CDCl3)9.4l (5, 1H), 8.91-8.78(brm, 1H), 8.08 (brs, 1H), 8.06(d, J=9.0 Hz, 1H), 7.79(dd, J=9.0, 2.0 Hz, 1H), 4.86-4.72 (brm, 1H), 4.30-4.12(brm, 1H), 4.03-3.86 (br m, 1 H), 3.86-3.71 (m, 1 H), 3.64-3.52 (br m, 1 H), 1.51 (5, 9H).
 

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