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[ CAS No. 153775-42-9 ]

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Chemical Structure| 153775-42-9
Chemical Structure| 153775-42-9
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CAS No. :153775-42-9 MDL No. :MFCD16876894
Formula : C8H4N2O4 Boiling Point : 438.1±40.0°C at 760 mmHg
Linear Structure Formula :- InChI Key :-
M.W :192.13 g/mol Pubchem ID :22168583
Synonyms :

Safety of [ 153775-42-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 153775-42-9 ]

  • Upstream synthesis route of [ 153775-42-9 ]
  • Downstream synthetic route of [ 153775-42-9 ]

[ 153775-42-9 ] Synthesis Path-Upstream   1~4

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YieldReaction ConditionsOperation in experiment
74.5% With chromium(VI) oxide; periodic acid In acetonitrile at 20℃; for 16 h; Example 17: Alternative preparation of 4-cyano-3-nitro-benzoic acid; Under an inert atmosphere, periodic acid (492 g, 2.17 mol) was dissolved in acetonitrile (7.7 1) with vigorous stirring, and then, after 15 minutes chromium(VI) oxide (25 g, 0.25 mol) and 4-methyl-2-nitro-benzonitrile (100 g, 0.62 mol) were added successively. The reaction mixture was stirred at ambient temperature for 16 hours. The reaction mixture was decanted and the supernatant filtered. The filtrate was concentrated and the residue partitioned between aqueous sodium carbonate (IM) and dichloromethane. The precipitate was isolated by filtration to give 4-cyano-3-nitro-benzoic acid (150 g). The filtrate was extracted twice with dichloromethane and was then acidified by addition of aqueous hydrochloric acid (4N) to pH 1. The acidified filtrate was then extracted three times with dichloromethane. The combined organic extracts were dried over sodium sulfate and concentrated. This residue was partitioned between aqueous sodium carbonate (IM) and dichloromethane. The precipitate was isolated by filtration to give 4-cyano-3-nitro-benzoic acid (26.67 g). Total yield: 150 g + 26.67 g = 176.67 g; 74.5 percent yield.
Reference: [1] Patent: WO2008/74427, 2008, A1, . Location in patent: Page/Page column 52
[2] Patent: WO2012/59442, 2012, A2, . Location in patent: Page/Page column 88-89
[3] Journal of Medicinal Chemistry, 2018, vol. 61, # 24, p. 11250 - 11260
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Reference: [1] Patent: US5478820, 1995, A,
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Reference: [1] Patent: WO2008/74427, 2008, A1, . Location in patent: Page/Page column 51
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Reference: [1] Patent: WO2008/74427, 2008, A1, . Location in patent: Page/Page column 50
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