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Chemical Structure| 99010-07-8 Chemical Structure| 99010-07-8

Structure of 99010-07-8

Chemical Structure| 99010-07-8

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Product Details of [ 99010-07-8 ]

CAS No. :99010-07-8
Formula : C9H4ClFN2O2
M.W : 226.59
SMILES Code : O=[N+](C1=C(Cl)C2=CC(F)=CC=C2N=C1)[O-]
MDL No. :MFCD10687171

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Application In Synthesis of [ 99010-07-8 ]

* 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 [ 99010-07-8 ]

[ 99010-07-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1408074-83-8 ]
  • [ 99010-07-8 ]
  • tert-butyl 3,3-difluoro-4-[(6-fluoro-3-nitroquinolin-4-yl)amino]pyrrolidine-1-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
92% With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 20℃; for 48.0h; To a 15°C solution of 4-chloro-6-fluoro-3-nitroquinoline (10.0 g, 44.1 mmol) inacetonitrile (50 mL) was added N,N-diisopropylethylamine (6.84 g, 52.9 mmol), followed by addition of <strong>[1408074-83-8]tert-butyl 4-amino-3,3-difluoropyrrolidine-1-carboxylate</strong> (prepared usingthe method described by D. C. Behenna et al., in U.S. Patent Application 2015 0141402 Al May 21 2015; 9.81 g, 44.1 mmol). The reaction mixture was stirred at 20 °C for 48 hours, whereupon it was concentrated in vacuo and purified via chromatography onsilica gel (Gradient: 9percent to 17percent tetrahydrofuran in petroleum ether) to afford the product as a pale yellow solid. Yield: 16.8 g, 40.7 mmol, 92percent. 1H NMR (400 MHz, CDCI3) 9.39(5, 1H), 8.87-8.69(brm, 1H), 8.13(dd, J=9.5, 5.5 Hz, 1H), 7.79-7.70(brd, J=8 Hz, 1H),7.63 (ddd, J=9.0, 7.5, 2.5 Hz, 1H), 4.87-4.71 (br m, 1H), 4.31 -4.09 (br m, 1H), 4.04-3.84 (br m, 1 H), 3.84-3.69 (m, 1 H), 3.63-3.51 (br m, 1 H), 1.50 (5, 9H).
 

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