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Chemical Structure| 226228-88-2 Chemical Structure| 226228-88-2

Structure of 226228-88-2

Chemical Structure| 226228-88-2

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Product Details of [ 226228-88-2 ]

CAS No. :226228-88-2
Formula : C21H22F3N3O2
M.W : 405.41
SMILES Code : O=C(NCC(N[C@H]1CN(CC2=CC=CC=C2)CC1)=O)C3=CC=CC(C(F)(F)F)=C3

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Application In Synthesis of [ 226228-88-2 ]

* 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 [ 226228-88-2 ]

[ 226228-88-2 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 17794-48-8 ]
  • [ 114715-39-8 ]
  • [ 226228-88-2 ]
YieldReaction ConditionsOperation in experiment
69% Manufacturing Example 2 N-[(1-benzylpyrrolidine-(3R)-yl-carbamoyl)-methyl]-3-trifluoromethylbenzamide 10.74 g (43.4 mmol) (3-trifluoromethylbenzoylamino)-acetic acid and 6.58 g (65.10 mmol, 1.5 eq.) N-methylmorpholine described at manufacturing example 1 dissolved into 80 ml tetrahydrofuran under argon gas. After cooling at -10 C., 7.11 g (52.08 mmol, 1.2 eq.) of isobutylchloroformate was diluted with 10 ml tetrahydrofuran and was added dropwise slowly into reaction solution. It was stirred at the same temperature and 8.03 g (45.57 mmol, 1.1 eq.) (3R)-(-)-1-benzyl-3-aminopyrrolidine was diluted with 10 ml tetrahydrofuran and was added dropwise slowly. After mixing at -10 C. for one hour, 100 ml purified water was added. It was three times continuously extracted with 100 ml ethyl acetate and organic layer was recovered. It was dried with anhydrous magnesium sulfate, decompressed and concentrated. After residues are solidified with t-butylmethylether and filtered, 12.18 g (69%) target compound as white solid was yielded. 1H NMR (400 MHz, DMSO-d6) 1.62-1.66 (1H, m), 2.26-2.36 (2H, m), 2.54-2.59 (1H, m), 2.63-2.66 (1H, m), 2.89-2.93 (1H, m), 3.62 (2H, d), 4.10 (2H, d), 4.46-4.90 (1H, m), 6.45 (1H, br s), 7.15 (1H, br s), 7.29-7.34 (5H, m), 7.59 (1H, t), 7.78 (1H, d), 8.00 (1H, d), 8.11 (1H, s)
  • 2
  • [ 17794-48-8 ]
  • [ 226228-88-2 ]
 

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