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Chemical Structure| 72418-40-7 Chemical Structure| 72418-40-7

Structure of 72418-40-7

Chemical Structure| 72418-40-7

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Product Details of [ 72418-40-7 ]

CAS No. :72418-40-7
Formula : C10H7NO2
M.W : 173.17
SMILES Code : O=CC1=CC(=NO1)C1=CC=CC=C1
MDL No. :MFCD09817543
InChI Key :SZXMDUKWIYIKKS-UHFFFAOYSA-N
Pubchem ID :11367267

Safety of [ 72418-40-7 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302
Precautionary Statements:P280-P305+P351+P338

Application In Synthesis of [ 72418-40-7 ]

* 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 [ 72418-40-7 ]

[ 72418-40-7 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 72418-40-7 ]
  • [ 90924-12-2 ]
  • [ 14442-12-7 ]
  • 2
  • [ 90924-12-2 ]
  • [ 72418-40-7 ]
YieldReaction ConditionsOperation in experiment
81% With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; iodine; sodium hydrogencarbonate; In ethanol; water; benzene; at 20℃; for 9h; General procedure: 3-Substituted isoxazole-5-carbaldehydes were synthesized according to reported procedures.37 (3-Phhenylisoxazol-5-yl)methanols (5.0 mmol) were dissolved into benzene (10 mL). An aqueous solution of sodium bicarbonate (13 mL, 1.2 mol/L) was added into the benzene slurry at room temperature. Then, the mixed solid TEMPO (0.5 mmol) was added and solid iodine (10 mmol) dissolved in alcohol was added into the reaction mixture. The reaction mixture was then aged for 10-12 h at room temperature; the reaction was monitored by TLC. The crude product was diluted with ethyl acetate (15 mL). The batch was washed with Na2S2O3 and transferred to a separatory funnel, and the aqueous layer was extracted with ethyl acetate (210 mL). The organic layers were mixed and dried over anhydrous sodium sulfate for 30 min, filtrated and evaporated under vacuum to give the crude product which was purified by column chromatography (silica gel, 200e300 mesh) using petroleum ether/ethyl acetate(4r5: 1) to furnish the product. The yields of obtained 3-substituted isoxazole-5-carbaldehydes products were 58-92%.
With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In ethyl acetate;Reflux; A solution of (3-phenylisoxazol-5-yl)methanol (10.0 g) and 2-iodoxybenzoic acid (24.0 g) in ethyl acetate (350 mL) was refluxed overnight. The mixture was cooled to room temperature, filtered and concentrated. The resulting solids were triturated (hexane: diethyl ether = 1: 1) to obtain the title compound (8.22 g) having the following physical data. 1H NMR (DMSO-de): delta 9.97 (s, IH), 8.06-7.91 (m, 3H), 7.64-7.47 (m, 3H).
With Jones reagent; In acetone; at 0℃; for 0.583333h; General procedure: (3-Arylisoxazol-5-yl)methanol 118,19 ( 4 mmol) was taken in dry acetone and cool to 0 oC and added the Jones reagent (CrO3+H2SO4+Acetone) (4 mmol) slowly over 15 minutes. The reaction mixture was stirred for 20 minutes at 0 oC. After completion of reaction, the reaction mixture was filtered through the short pad of celite, collected the filtrate, and concentrated under vacuum. The residue was purified by passing through a column packed with silica gel using petroleum ether/EtOAc (8:2) as eluents.
  • 3
  • [ 72418-40-7 ]
  • [ 62-53-3 ]
  • [ 446065-11-8 ]
  • N-(cyclohexyl(3-phenylisoxazol-5-yl)methyl)aniline [ No CAS ]
 

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[ 72418-40-7 ]

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Related Parent Nucleus of
[ 72418-40-7 ]

Isoxazoles

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