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Chemical Structure| 4816-81-3 Chemical Structure| 4816-81-3

Structure of 4816-81-3

Chemical Structure| 4816-81-3

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Product Details of [ 4816-81-3 ]

CAS No. :4816-81-3
Formula : C10H13NO4S
M.W : 243.28
SMILES Code : CC(NS(=O)(C1=CC=C(C)C=C1)=O)C(O)=O
MDL No. :MFCD00230250

Safety of [ 4816-81-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 4816-81-3 ]

* 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 [ 4816-81-3 ]

[ 4816-81-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 4816-81-3 ]
  • [ 127294-75-1 ]
  • (R)-3-aminopiperidine di(S)-2-(4-methylphenyl)sulfonylamino-propionate [ No CAS ]
YieldReaction ConditionsOperation in experiment
72% A solution of 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. 2428 mg (10 mmol) Ts-L-Ala were added and the mixture was heated at 80C until a clear solutions 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 (R)-APIP-2 Ts-L-Ala-H20. Yield: 1435 mg, 95% (based on the amount of enantiomer used). Enantiomeric ratio S/R =2.06 : 97.94; S-factor (efficiency of optical resolution) = 0.91 . The obtained acid addition salt was purified by recrystallization from 13.0 g water. Yield: 1087 mg, 72% (based on the amount of enantiomer used). Enantiomeric ratio S/R =0.0 :100.0. Melting point: 152C. Specific rotation [a]D20=-3.8 (c=0.5, MeOH).
 

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