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Chemical Structure| 621-42-1 Chemical Structure| 621-42-1
Chemical Structure| 621-42-1

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Synonyms: AMAP

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Product Details of Metacetamol

CAS No. :621-42-1
Formula : C8H9NO2
M.W : 151.16
SMILES Code : CC(NC1=CC=CC(O)=C1)=O
Synonyms :
AMAP
MDL No. :MFCD00002263
InChI Key :QLNWXBAGRTUKKI-UHFFFAOYSA-N
Pubchem ID :12124

Safety of Metacetamol

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

Application In Synthesis of Metacetamol

* 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 [ 621-42-1 ]

[ 621-42-1 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 133446-99-8 ]
  • [ 621-42-1 ]
  • [ 1221486-69-6 ]
YieldReaction ConditionsOperation in experiment
43.3% EXAMPLE 77 2-(3-Acetylaminophenoxymethyl)-4-nitrobenzoic acid methyl ester (3) In accordance with general method U, 1.50 g (10.86 mmol) of potassium carbonate are suspended in 15 ml of acetone, 1.80 g (11.90 mmol) of 3-acetamidophenol are then added and the mixture is stirred for 15 min. 2.44 g (8.91 mmol) of (2) are added to the mixture. Yield: 1.33 g (43.3%); melting point: 139.2 C. C17H16N2O6 (Mr=344.33); GC (method 3) 23.07 min 1H-NMR (DMSO-d6) in ppm: 9.95 (s, 1H, -NH), 8.45 (d, 1H, J=1.98 Hz, aryl H), 8.27 (m, 1H, aryl H), 8.12 (d, 1H, J=8.54 Hz, aryl H), 7.37 (s, 1H, aryl H), 7.21-7.16 (m, 2H, aryl H), 6.71-6.68 (m, 1H, aryl H), 5.44 (s, 2H, -CH2-O), 3.86 (s, 3H, -O-CH3) 13C-NMR (DMSO-d6) in ppm: 168.75 (-NH-C=O-), 166.00 (-C=O), 158.41 (C1'), 149.75 (C4), 141.00 (C2), 140.77 (C3'), 134.48 (C1), 132.10 (C6), 130.02 (C5'), 123.08 (C3), 122.64 (C5), 112.37 (C4'), 109.49 (C6'), 105.94 (C2'), 65.01 (-CH2-O), 52.16 (-O-CH3), 24.41 (-NH=O-CH3) IR (ATR) (cm-1): 1729, 1719, 1606, 1349, 1289, 1253, 1158, 1057, 771, 727 MS m/z (%): 344 (10), 327 (10), 271 (3), 194 (100), 148 (44). General Method UFor further reaction of the brominated educt with substituted phenols, the stated amount of potassium carbonate is suspended in acetone in a 250 ml three-necked flask. The phenol to be deprotonated is added and the mixture is stirred at room temperature for 15 min. The brominated benzoic acid methyl ester is then added to the mixture and, after heating to 70 C., the mixture is refluxed for 6 h. The acetone is removed in vacuo and the residue is extracted by shaking several times with EtOAc. After acidification of the aqueous phase with 20% strength HCl, the combined organic phases are concentrated in vacuo after drying (Na2SO4) and the residue is purified by recrystallization with methanol.
  • 2
  • [ 621-42-1 ]
  • [ 873054-44-5 ]
 

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