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[ CAS No. 54523-76-1 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 54523-76-1
Chemical Structure| 54523-76-1
Structure of 54523-76-1 *Storage: {[proInfo.prStorage]}

Quality Control of [ 54523-76-1 ]

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Alternatived Products of [ 54523-76-1 ]

Product Details of [ 54523-76-1 ]

CAS No. :54523-76-1MDL No. :MFCD15146660
Formula : C8H8N2O Boiling Point : -
Linear Structure Formula :-InChI Key :-
M.W :148.16Pubchem ID :-
Synonyms :

Computed Properties of [ 54523-76-1 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 54523-76-1 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 54523-76-1 ]

  • Downstream synthetic route of [ 54523-76-1 ]

[ 54523-76-1 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 54523-76-1 ]
  • [ 32857-62-8 ]
  • [ 1338064-97-3 ]
YieldReaction ConditionsOperation in experiment
78.5% With diethyl dicarbonate In tetrahydrofuran at 0 - 80℃; 58 Example 58: 2-(4-(trifluoromethyl)phenyl)-N-(3,4-dihydro-3-oxo-2H-benzo[b][1,4]oxazin-5-yl)acetamide (scheme 10) Preparation of 2-(4-(trifluoromethyl)phenyl)-N-(3,4-dihydro-3-oxo-2H-benzo[b][1,4]oxazin-5-yl)acetamide 4-trifluoromethylphenylacetic acid (408 mg, 2 mmol) was dissolved in 20 ml of THF and at 0°C DEPC (0.358 ml, 1.2equiv) and amine 1d (427 mg, 2.6 mmol) were added to the solution. The mixture was warmed at 80°C overnight, then evaporated and the crude was dissolved in AcOEt (30 ml) and washed with water (1 X 20 ml) and brine. The organic phase was dried over sodium sulfate and concentrated under vacuum. The purification of the crude residue by chromatographic column using AcOEt as eluant gave 550 mg of a white solid. Yield = 78.5% 1HNMR (DMSO, 200 MHz) δ 3.81 (2H, s), 4.55 (2H, s), 6.87 (2H, m), 7.05 (1H, dd, J = 7.6 Hz, J' = 6 Hz), 7.56 (2H, d, J = 8.2 Hz), 7.70 (2H, d, J = 8 Hz), 9.69 (1H, bs), 10.38 (1H, bs); [M+1] 351.2 (C17H13F3N2O3 requires 350.3).
  • 2
  • [ 54523-76-1 ]
  • [ 102422-55-9 ]
  • [ 848679-01-6 ]
YieldReaction ConditionsOperation in experiment
In ethyl acetate; N,N-dimethyl-formamide at 80℃; for 8h; 37 Preparation of 1-(4-(trifluoromethyl)benzyl)-3-(2-oxoindolin-4-yl)urea Commercially available racemic 5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine (1 g, 4.97 mmol) was dissolved in 30 ml of AcOEt and at 0°C triphosgene (1.42 g, 4.97 mmol) was added to the solution. The mixture was warmed at 80°C for 4 hours then evaporated and the residue was dissolved in 5 ml of DMF. The solution of the isocyanate was added drop wise to a solution in DMF (10 ml) of compound 1d (710 mg, 4.8 mmol) and the mixture was warmed at 80°C for 8 hours. (TLC AcOEt 7 / petroleum ether 3). The solvent was evaporated and the crude was dissolved in AcOEt (30 ml) and washed with water (1 X 20 ml) and brine. The organic phase was dried over sodium sulfate and concentrated under vacuum. The purification of the crude residue by chromatographic column gave 225 mg of a beige solid. Yield = 12.5% 1HNMR (DMSO, 200 MHz) δ 1.82(1H, m), 2.50 (1H, m), 2.95 (2H, m), 3.33 (2H, s), 5.22 (1H, q, J = 7.6 Hz), 6.45 (1H, d, J = 7.4 Hz), 6.87 (1H, d, J = 7.8 Hz), 7.07 (1H, t, J = 7.8 Hz), 7.56 (4H, m), 7.94 (1H, s), 10.34 (1H, bs); [M+1] 375.7 (C19H16F3N3O2 requires 375.34).
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