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Chemical Structure| 10298-81-4 Chemical Structure| 10298-81-4

Structure of 10298-81-4

Chemical Structure| 10298-81-4

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Product Details of [ 10298-81-4 ]

CAS No. :10298-81-4
Formula : C8H8FNO3
M.W : 185.15
SMILES Code : O=[N+](C1=CC(OCC)=CC=C1F)[O-]
MDL No. :MFCD17014026
Boiling Point : No data available
InChI Key :FOHXVSNHSWNAAI-UHFFFAOYSA-N
Pubchem ID :56777244

Safety of [ 10298-81-4 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 10298-81-4 ]

* 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 [ 10298-81-4 ]

[ 10298-81-4 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 2105-96-6 ]
  • [ 75-03-6 ]
  • [ 10298-81-4 ]
YieldReaction ConditionsOperation in experiment
93% To a DMF (10 mL) solution of <strong>[2105-96-6]4-fluoro-3-nitro-phenol</strong> (628 mg), sodium hydride (purity: 55percent or higher, 209 mg) was added in small portions at room temperature. After 30 minutes, ethyl iodide (0.38 mL) was added thereto at room temperature. After 2 hours, the reaction mixture was diluted with ethyl acetate, washed with saturated sodium bicarbonate and saturated brine, then dried over sodium sulfate, and then concentrated. The residue was purified by column chromatography (hexane/ethyl acetate) to obtain the title compound (685 mg, 93percent) as a yellow solid. 1H NMR (400 MHz, CDCl3): delta (ppm) = 7.52 (1H, dd, J = 5.9 and 3.1 Hz), 7.23-7.13 (2H, m), 4.07 (2H, q, J = 7.0 Hz), 1.45 (3H, t, J = 7.0 Hz).
  • 2
  • [ 64-67-5 ]
  • [ 2105-96-6 ]
  • [ 10298-81-4 ]
YieldReaction ConditionsOperation in experiment
99% With potassium carbonate; In acetonitrile; at 120℃; for 0.166667h;Microwave irradiation; Sealed vial; To a stirred mixture of <strong>[2105-96-6]4-<strong>[2105-96-6]fluoro-3-nitrophenol</strong></strong> (200 mg, 1.27 mmol), potassium carbonate (185 mg, 1.34 mmol, OEt 1.05 equiv) and 2 mL MeCN in a 5 mL Pyrex microwave vial, diethyl sulfate (175 muL, 1.34 mmol, 1.05 equiv) was added. The suspension was stirred for 10 s and sealed with an aluminum crimp and Teflon septum. The reaction mixture was subjected to microwave heating for 10 min (hold time) at 120 °C and then cooled to 50 °C. The so processed reaction mixture was extracted with 2 .x. 25 mL EtOAc, the collected organic layers were dried over MgSO4, the solvent was removed under reduced pressure and the residue purified by flash chromatography (eluent - n-hexane/EtOAc; gradient 0 to 40percent AcOEt) to afford ethyl 4-ethoxy-1-fluoro-2-nitrobenzene (6a) as a white solid (233 mg, 99percent): m.p. = 63- 65 °C (2-propanol/H2O); 1H-NMR (300 MHz, CDCl3): d = 1.48 (t, J = 6.97 Hz, 3H), 4.09 (q,J = 7 Hz, 2H), 7.14-7.29 (m, 2H), 7.55 (dd, J = 5.8 and 2.9, 1H); GC-EIMS, m/z (percent): 157 (100), 185 (85).
 

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