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Chemical Structure| 22227-47-0 Chemical Structure| 22227-47-0

Structure of 22227-47-0

Chemical Structure| 22227-47-0

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Product Details of [ 22227-47-0 ]

CAS No. :22227-47-0
Formula : C8H4ClF3N2O3
M.W : 268.58
SMILES Code : O=C(N)C1=CC(C(F)(F)F)=CC([N+]([O-])=O)=C1Cl
MDL No. :MFCD20037697
InChI Key :VJMGWMDITIICJK-UHFFFAOYSA-N
Pubchem ID :21288448

Safety of [ 22227-47-0 ]

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 [ 22227-47-0 ]

* 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 [ 22227-47-0 ]

[ 22227-47-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 22227-59-4 ]
  • [ 22227-47-0 ]
YieldReaction ConditionsOperation in experiment
90% With di-tert-butyl dicarbonate; ammonium bicarbonate; In 1,4-dioxane; pyridine; at 20℃; To a strirred solution of 2chloro3nitro5(trifluoromethyl)benzoic acid (2.7 g, 10 mmol, 1.0 equiv.), pyridine (0.50 ml,6.2 mmol, 0.62 equiv.), and Boc2O(2.8 g, 13.0 mmol, 1.3 equiv.)in 1,4-dioxane (10 ml) at room temperature was added ammonium bicarbonate (1.00 g, 12.6 mmol, 1.26 equiv.). The reaction was stirred overnight at room temperature and then partitioned between EtOAc (50 ml) and H2O (50 ml). The organic layer was separated, washed consecutively with water 50 ml) and 0.6 N aqueous HCl (50 ml), dried (Mg2SO4), and filtered. The filtrate was concentrated under reduced pressureto provide 2 as a white solid [yield 2.42 g, 90%; m.p. 190-193 C; literature (Welch et al., 1969) 195-197 C]. 1H NMR and MS data are consistent with previously reported spectra(Cooper et al., 2013).
82.1% A mixture of <strong>[22227-59-4]2-chloro-3-nitro-5-trifluoromethylbenzoic acid</strong>(1.0015g, 3.7 mmol), chloroform (5 mL) , DMF (375 iL) and thionyl chloride (630 i , 8.6 mmol) was refluxed under N2 for 3 hr . The mixture was cooled to ambient temperature and evaporated to dryness ({vigorous reaction. ) . The mixture was stirred for 30 min at 0C then the precipitate was isolated by vacuum filtration, and washed with cold water. The product was dried overnight in vacuo to give the desired product as a white solid 0.8206"g (82.1 %) . LCMS: Rt = 5.60 min, 100 A% (at) 254 nm, [M+H] + = 269.0. XH NMR (400 MHz, CDC13) ?: 8.03 (dq, 1H, J" = 0.6, 2.2), 7.88 (dq, 1H, J" = 0.7, 2.2), 7.84 (br s, lH) , 7.29 (br s, 1H) .
 

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