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Chemical Structure| 885272-42-4 Chemical Structure| 885272-42-4

Structure of 885272-42-4

Chemical Structure| 885272-42-4

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Product Details of [ 885272-42-4 ]

CAS No. :885272-42-4
Formula : C13H18N2O2
M.W : 234.29
SMILES Code : O=C(N1CCC2=C1C=CC=C2N)OC(C)(C)C
MDL No. :MFCD08059274
InChI Key :AJOIZSPQKCKYRW-UHFFFAOYSA-N
Pubchem ID :52903807

Safety of [ 885272-42-4 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 885272-42-4 ]

* 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 [ 885272-42-4 ]

[ 885272-42-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 913836-24-5 ]
  • [ 885270-30-4 ]
  • [ 885272-42-4 ]
YieldReaction ConditionsOperation in experiment
88% With hydrogen;5% Pd(II)/C(eggshell); In toluene; at 20℃; under 2585.81 Torr; for 3.0h; To a 2.5 liter Paar shaker hydrogenation flask was charged 40.0 g (0.152 mol) of, 500 mL of toluene and 1.0 g of 5 wt % Pd-C Degussa Type E101 NO/W (50% water wet). The yellow-green mixture was hydrogenated at about 50 psi at room temperature for about 3 hours until no further hydrogen uptake and HPLC analysis showed the reaction to be complete. Note: batch should be analyzed quickly when hydrogen uptake is complete since about 5-15% of indolene by-product forms due to over hydrogenation. (Extended reaction time results in yield loss via over hydrogenation). The mixture was filtered through Celite, washed with toluene, and concentrated.Multiple hydrogenation batches were combined and concentrated to 140 gram crude orange oil. The material was purified by chromatography with 25% EtOAc: 75% hexane and eluted to afford 121 gram of pure product as an orange oil in 100 area % by HPLC in an overall yield of 88%. The indolene by-product 12 must be removed in this step otherwise it carries through to later steps.
 

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