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Chemical Structure| 52756-36-2 Chemical Structure| 52756-36-2

Structure of 52756-36-2

Chemical Structure| 52756-36-2

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Product Details of [ 52756-36-2 ]

CAS No. :52756-36-2
Formula : C10H14ClN
M.W : 183.68
SMILES Code : NC1=CC=C(C(C)(C)C)C(Cl)=C1
MDL No. :MFCD09966032
InChI Key :CFMUKZISSXYPBP-UHFFFAOYSA-N
Pubchem ID :11959040

Safety of [ 52756-36-2 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319
Precautionary Statements:P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362

Application In Synthesis of [ 52756-36-2 ]

* 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 [ 52756-36-2 ]

[ 52756-36-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 182287-49-6 ]
  • [ 52756-36-2 ]
  • tert-butyl (2-((4-(tert-butyl)-3-chlorophenyl)amino)-2-oxo-1-(tetrahydro-2H-pyran-4-yl)ethyl)carbamate [ No CAS ]
YieldReaction ConditionsOperation in experiment
88% With dmap; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; N-ethyl-N,N-diisopropylamine; In water; ethyl acetate; at 10 - 60℃; (Step 8) To a solution of 2-((tert-butoxycarbonyl)amino)-2-(tetrahydro-2H-pyran-4-yl)acetic acid (1.55 g, 5.98 mmol), 4-(tert-butyl)-3-chloroaniline (1.098 g, 5.98 mol), DMAP (0.803 g, 6.58 mmol) and DIEA (5.22 mL, 29.89 mmol) in ethyl acetate (20 mL) was added T3P (5.27 mL, 8.97 mmol) at room temperature. The reaction mixture was stirred overnight at 60C, water and ethyl acetate were added thereto, and the organic layer was separated. The organic layer was dried over magnesium sulfate, and the solvent was evaporated under reduced pressure to give tert-butyl (2-((4-(tert-butyl)-3-chlorophenyl)amino)-2-oxo-1-(tetrahydro-2H-pyran-4-yl)ethyl)carbamate (2.23 g, 5.25 mmol, 88%) as a white solid. 1H NMR(300 MHz,CDCl3):δ1.41-1.51(19H,m), 1.59-1.72(2H,m), 2.08-2.25(1H,m),3.39(2H,t,J=11.7 Hz),3.90-4.07(3H,m),5.07(1H,d,J=7.9 Hz),7.29-7.41(3H,m),7.56-7.63(1H,m), 7.95(1H,brs).
 

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