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Chemical Structure| 452-72-2 Chemical Structure| 452-72-2

Structure of 452-72-2

Chemical Structure| 452-72-2

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Product Details of [ 452-72-2 ]

CAS No. :452-72-2
Formula : C7H7FO
M.W : 126.13
SMILES Code : C1=C(C(=CC=C1F)O)C
MDL No. :MFCD00075088
InChI Key :GKQDDKKGDIVDAG-UHFFFAOYSA-N
Pubchem ID :136295

Safety of [ 452-72-2 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 452-72-2 ]

* 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 [ 452-72-2 ]

[ 452-72-2 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 399-54-2 ]
  • [ 452-72-2 ]
  • 3
  • [ 13195-50-1 ]
  • [ 452-72-2 ]
  • [ 190966-70-2 ]
  • 4
  • [ 452-72-2 ]
  • [ 108149-63-9 ]
  • (S)-tert-butyl 4-((4-fluoro-2-methylphenoxy)methyl)-2,2-dimethyloxazolidine-3-carboxylate [ No CAS ]
  • 5
  • [ 452-72-2 ]
  • [ 146137-78-2 ]
  • 2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzaldehyde [ No CAS ]
YieldReaction ConditionsOperation in experiment
67% With caesium carbonate; In N,N-dimethyl-formamide; at 100℃; for 1.5h; To a solution of 2-fluoro-5-(trifluoromethyl)benzaldehyde (11.6 mL, 82.1 mmol) and 4- fluoro-2 -methyl-phenol (11.4 g, 90.3 mmol) in DMF (80 mL) was added cesium carbonate (29.4 g, 90.3 mmol), and the mixture was heated at 100 C for 1.5 hours. The reaction was cooled to room temperature and filtered, washing with ethyl acetate. The solvent was concentrated under reduced pressure. The residue was partitioned between ethyl acetate (200 mL) and water (100 mL). The two layers were separated, and the aqueous layer was extracted with ethyl acetate (2 x 100 mL). The organic layers were combined, dried over sodium sulfate, and filtered, and the solvent was evaporated under reduced pressure to give a brown liquid. The crude product was purified on 330 g of silica gel utilizing a gradient of 0- 15% ethyl acetate in hexane to yield 2-(4-fluoro-2 -methyl -phenoxy)-5-(trifluoromethyl)benzaldehyde (16.4 g, 67%) as a yellow solid. ESI-MS m/z calc. 298.06, found 299.3 (M+l)+; Retention time (Method B): 2.22 minutes (3 min run). NMR (400 MHz, DMSO) δ 10.53 (s, 1H), 8.09 (d, J = 2.3 Hz, 1H), 7.94 (dd, J = 8.8, 2.4 Hz, 1H), 7.32 (dd, J = 9.3, 3.1 Hz, 1H), 7.30 - 7.25 (m, 1H), 7.22 - 7.14 (m, 1H), 6.84 (d, J = 8.8 Hz, 1H), 2.18 (s, 3H) ppm.
 

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