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Chemical Structure| 1171775-66-8 Chemical Structure| 1171775-66-8

Structure of 1171775-66-8

Chemical Structure| 1171775-66-8

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Product Details of [ 1171775-66-8 ]

CAS No. :1171775-66-8
Formula : C11H14ClF2NO
M.W : 249.68
SMILES Code : FC1=CC=C(OC2CCNCC2)C(F)=C1.[H]Cl
MDL No. :MFCD09997065

Safety of [ 1171775-66-8 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis of [ 1171775-66-8 ]

* 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 [ 1171775-66-8 ]

[ 1171775-66-8 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 59237-53-5 ]
  • [ 1171775-66-8 ]
  • methyl 6-(4-(2,4-difluorophenoxy)piperidin-1-yl)-5-nitronicotinate [ No CAS ]
YieldReaction ConditionsOperation in experiment
66.5% With potassium carbonate; In acetonitrile; at 80℃; for 5h; [0202] A solution of methyl 6~chloro-5-nitronicotinate (5 g, 23.09 mmol), 4~(2,,4~ difluorophenoxy)piperidine hydrochloride (6.92 g, 27.7 mmol) and K2CO3 (9.57 g, 69.3 mmol) in ACN (57.7 mL) was stirred at 80°C for 5 hours. The reaction mixture was poured into water and extracted with EtOAc (3 x 250 mL). The organic layers were combined, dried over NazSC and filtered. The filtrate was concentrated in vacuo and purified by column chromatography (ISCO column) elutmg with a gradient of 0-100percent EtOAc in heptane, to give the title compound as a yellow solid (6.04 g, 66.5percent). lR NMR (500 MHz, DMSO-afe) delta ppm 1.74 (dq,./ 12. KK. 4.17 Hz, 2 I .}. 2.04 (ddd, J=9.76, 6.83, 3,42 Hz, 2 H), 3.45 (td, 7=8.91, 4.15 Hz, 2 H), 3.71 - 3.76 (m, 2 H), 3.85 (s, 3 H), 4,66 (tt, J=7.51, 3,72 Hz, 1H), 7.00 - 7,06 (m, 1H), 7.27 - 7.36 (m, 2 H), 8.56 (d,/ 1.46 Hz, 1H), 8.82 (d,,/ 1.46 Hz, 1H); ESI-MS m/z | M I I . 394.2.
  • 2
  • [ 19346-44-2 ]
  • [ 1171775-66-8 ]
  • 2-(4-(2,4-difluorophenoxy)piperidin-1-yl)-5-methyl-3-nitropyridine [ No CAS ]
YieldReaction ConditionsOperation in experiment
99% With potassium carbonate; In acetonitrile; at 80℃; for 5.0h; [0205] A solution of <strong>[19346-44-2]2-fluoro-5-methyl-3-nitropyridine</strong> (1 g, 6.41 mmol), 4~(2,4~ difluorophenoxy)piperidine hydrochloride (1.919 g, 7.69 mmol) and K2CO3 (2.66 g, 19.22 mmol) in ACN (16.01 mL) was stirred at 80C for 5 hours. The reaction mixture was poured into water and extracted with EtOAc (3 x 50 mL). The organic layers were combined, dried over Na,2S(>4, and filtered. The filtrate was concentrated in vacuo and purified by flash chromatography (I SCO column) eluiing with a gradient of 0-100% EtOAc in heptane to give the title compound as a yellow solid (2.21 g, 99%). NMR (500 MHz, DMSQ-<:) delta ppm 1.66 - 1.73 (m, 2 H), 2.00 (d, J=12.20 Hz, 2 H), 2.25 (s, 3 H), 3.19 - 3.25 (m, 2 H), 3.52 - 3.57 (m, 2 H), 4.58 (dt, J=7,69, 3.72 Hz, 1H), 6,98 - 7.04 (m, 1H), 7.26 - 7.34 (m, 2 H), 8.1 1 (s, 1H), 8.28 -MS m/z [M+H 350.2,
 

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