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Chemical Structure| 93850-62-5 Chemical Structure| 93850-62-5

Structure of 93850-62-5

Chemical Structure| 93850-62-5

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Product Details of [ 93850-62-5 ]

CAS No. :93850-62-5
Formula : C10H12N2O3
M.W : 208.21
SMILES Code : C[C@H](NC(NC1=CC=CC=C1)=O)C(O)=O
MDL No. :MFCD09863533

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Application In Synthesis of [ 93850-62-5 ]

* 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 [ 93850-62-5 ]

[ 93850-62-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 93850-62-5 ]
  • [ 127294-75-1 ]
  • (S)-3-aminopiperidine di(S)-2-(3-phenylureido)-propionate [ No CAS ]
YieldReaction ConditionsOperation in experiment
504 mg 400 mg (10 mmol) sodium hydroxide in 5.0 g water were added dropwise to a solution of 865 mg (5 mmol) <strong>[127294-75-1]rac-APIP dihydrochloride</strong> in 5.0 g water and the mixture was stirred for 10 min. 2082 mg (10 mmol) of PC-L-Ala were added and the mixture was heated at 80C until a clear solution- was obtained. The solution was cooled slowly to r.t. and the suspension was stirred for 3 h. The formed solid was collected by filtration, washed with mother liquor, water, isobutanol, TBME and pentane (1 ml each) and dried to afford (S)-APIP-2 PC-L-Ala-2 H20 as white solid. Yield: 1220 mg, 88% (based on the amount of enantiomer used). Enantiomeric ratio S/R = 98.88 : 1 .12. S-factor (efficiency of optical resolution) = 0.86. 1000 mg of the obtained acid addition salt was purified by recrystallization from 6.0 g of water. Yield: 504 mg. Enantiomeric ratio S/R = 99.93 : 0.07. Melting point: 135.2C. Specific rotation [a]D20= +3.4 (c=0.5, MeOH).
 

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