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Chemical Structure| 54057-46-4 Chemical Structure| 54057-46-4

Structure of 54057-46-4

Chemical Structure| 54057-46-4

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Product Details of [ 54057-46-4 ]

CAS No. :54057-46-4
Formula : C14H10FNO3
M.W : 259.23
SMILES Code : O=C(O)C1=CC=C(NC(C2=CC=C(F)C=C2)=O)C=C1

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Application In Synthesis of [ 54057-46-4 ]

* 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 [ 54057-46-4 ]

[ 54057-46-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 198211-38-0 ]
  • [ 54057-46-4 ]
  • tert-butyl (3-{4-[(4-fluorobenzoyl)amino]benzoyl}-3-azabicyclo[3.1.0]hex-6-yl)carbamate [ No CAS ]
YieldReaction ConditionsOperation in experiment
85% With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In dichloromethane; at 20℃; for 16h; Step c: Synthesis of tert-butyl (3-{4-[(4-fluorobenzoyl)amino]benzoyl}-3-azabicyclo[3.1.0]hex-6-yl)carbamateTo a solution of 4-[(4-fluorobenzoyl)amino]benzoic acid (0.55 g, 2.12 mmol), tert-butyl 3-azabicyclo[3.1.0]hex-6-ylcarbamate (0.42 g, 2.12 mmol), 1-hydroxybenzotriazole (0.34 g, 2.54 mmol), triethylamine (0.44 ml, 3.18 mmol) in dichloromethane (10.0 mL) at 0 C., was added in portion N-(3-dimethylaminopropyl)-N'-ethylcarbodiimide hydrochloride (0.60 g, 3.18 mmol). The reaction mixture was stirred at room temperature for about 16 hours and then partitioned between water (10.0 mL) and dichloromethane (15.0 mL). The aqueous layer was extracted with dichloromethane (15.0 mL). The combined organic layer was washed water and brine, dried over anhydrous sodium sulphate and concentrated under reduced pressure. The residue was purified by column chromatography (30% ethyl acetate in hexane, silica gel 100-200 mesh) to yield the title compound (792 mg, 85%).1H NMR (400 MHz, CDCl3): delta 1.43 (s, 9H), 1.75 (m, 2H), 2.29 (s, 1H), 3.54-3.57 (m, 1H), 3.66-3.81 (m, 2H), 4.19-4.21 (m, 1H), 4.72 (br s, 1H, NH), 7.15-7.94 (m, 8H); ESI-MS (m/z): 440.14 (M++1)
 

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