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[ CAS No. 1149388-51-1 ]

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Chemical Structure| 1149388-51-1
Chemical Structure| 1149388-51-1
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CAS No. :1149388-51-1 MDL No. :MFCD26390065
Formula : C9H5FN2O4 Boiling Point : -
Linear Structure Formula :- InChI Key :N/A
M.W :224.15 g/mol Pubchem ID :67403309
Synonyms :

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Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1149388-51-1 ]

  • Upstream synthesis route of [ 1149388-51-1 ]
  • Downstream synthetic route of [ 1149388-51-1 ]

[ 1149388-51-1 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 175596-01-7 ]
  • [ 1149388-51-1 ]
YieldReaction ConditionsOperation in experiment
43% at 45℃; for 15 h; STEP 3: To a flask containing methyl 4-cyano-2-fluorobenzoate (1.61 g, 9.0 mmol) was added fuming nitric acid (15 mL) followed by concentrated sulfuric acid (4 mL). The mixture was heated to 45 °C for 15 h before cooling to room temperature. The solution was then poured into ice water and the resulting mixture was extracted twice with ethyl acetate. The combined organic extracts were washed with saturated sodium bicarbonate solution, dried over magnesium sulfate, filtered, and concentrated to provide methyl 4-cyano-2-fluoro-5-nitrobenzoate (859 mg, 3.83 mmol, 43percent yield). <n="450"/>1H NMR (400 MHz, CDCl3): 8.95 (d, IH), 7.72 (d, IH), 4.04 (s, 3H); MS (EI) for C9H5FN2O4: 224 (M+).
Reference: [1] Patent: WO2009/55077, 2009, A1, . Location in patent: Page/Page column 447-448
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