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Chemical Structure| 103966-65-0 Chemical Structure| 103966-65-0

Structure of 103966-65-0

Chemical Structure| 103966-65-0

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Product Details of [ 103966-65-0 ]

CAS No. :103966-65-0
Formula : C8H9NO3
M.W : 167.16
SMILES Code : C[C@H](O)C1=CC=CC([N+]([O-])=O)=C1
MDL No. :MFCD18339548
InChI Key :FRPQAVXDUWMFCK-LURJTMIESA-N
Pubchem ID :15621096

Safety of [ 103966-65-0 ]

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 [ 103966-65-0 ]

* 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 [ 103966-65-0 ]

[ 103966-65-0 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 108-05-4 ]
  • [ 5400-78-2 ]
  • [ 103966-64-9 ]
  • [ 76116-24-0 ]
  • [ 103966-65-0 ]
  • 2
  • [ 108-05-4 ]
  • [ 5400-78-2 ]
  • [ 103966-64-9 ]
  • [ 103966-65-0 ]
YieldReaction ConditionsOperation in experiment
With immobilized CALB lipase; at 30℃; for 32h;Enzymatic reaction; General procedure: A 25 ml round-bottom flask was charged with 1 mmol racemic secondary alcohol, 5 mL vinyl acetate. Then 10 mg of immobilized enzyme was added in the previous mixture. When this was completed, the resulting mixture was stirred at ambient temperature for a certain time. Conversions and ee values were determined by GC analysis or HPLC analysis. When the reaction was complete, the solution was filtered through a pad of cotton; the solvent and the unreacted vinyl acetate were removed in vacuum. The resulting residues were purified by chromatography on silica gel with petroleum ether-ethyl acetate (1:10-1:5) to afford the corresponding pure (R)-configured esters. A 25 ml round-bottom flask was charged with the (R)-ester of 0.5 mmol, 10 mL isopropyl ether and immobilized CALB (Novozym 435) recycled from the former round or new addition, sealed and anhydrous ammonia was added to the solution. The resulting mixture was stirred at 35 C for a certain time. Samples were taken at 1 h intervals, each time 20 mul of solution were used for analyzing. When the reaction was complete, the solution was filtered through a pad of cotton and the solvent was removed in vacuo. The resulting residues were purified by chromatography on silica gel with petroleum ether-ethyl acetate (1:1-1:5) to afford the corresponding (R)-alcohols; the ee values of the desired products are summarized in Table 5.
  • 3
  • [ 5400-78-2 ]
  • [ 121-89-1 ]
  • [ 103966-65-0 ]
 

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