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Chemical Structure| 54998-28-6 Chemical Structure| 54998-28-6

Structure of 54998-28-6

Chemical Structure| 54998-28-6

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Product Details of [ 54998-28-6 ]

CAS No. :54998-28-6
Formula : C9H12ClNO2
M.W : 201.65
SMILES Code : N=C(OCC)C1=CC=C(O)C=C1.[H]Cl
MDL No. :MFCD00013303
Boiling Point : No data available

Safety of [ 54998-28-6 ]

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

Application In Synthesis of [ 54998-28-6 ]

* 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 [ 54998-28-6 ]

[ 54998-28-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 16600-92-3 ]
  • [ 54998-28-6 ]
  • [ 440122-62-3 ]
YieldReaction ConditionsOperation in experiment
palladium on charcoal; In ethanol; Example 5 4,6-Dihydroxy-2-(4-hydroxyphenyl)benzoxazole A mixture of 1-nitro-2,4,6-trihydroxybenzene (1 g) and 10percent palladium on charcoal (200 mg) in absolute ethanol (10 mL) was stirred for 18 h at room temperature under a 50-PSI atmosphere of hydrogen. The solids were filtered rapidly. To the resulting filtrate was added ethyl 4-hydroxybenzimidate hydrochloride (1.17 g). The mixture was heated at reflux for 5 h under nitrogen, cooled and partitioned between ethyl acetate and water. The organic layer was washed with water and brine, and dried over MgSO4. Chromatography on silica gel (eluant: acetone-dichloromethane, gradient 10:90 to 20:80) and trituration of the resulting solid with ether afforded the title compound (28 mg) as a light pinkish solid. NMR (DMSO-d6): 10.15 (m, 2H), 9.53 (s, 1H), 7.91 (d, 2H, J=8.7 Hz), 6.92 (d, 2H, 38.7 Hz), 6.48 (d, 1H, J=1.5 Hz), 6.26 (d, 1H, J=1.5 Hz); MS. 244 (MH+).
 

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