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Chemical Structure| 126653-00-7 Chemical Structure| 126653-00-7

Structure of 126653-00-7

Chemical Structure| 126653-00-7

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Product Details of [ 126653-00-7 ]

CAS No. :126653-00-7
Formula : C13H15N3
M.W : 213.28
SMILES Code : C1CN(CCN1)C1=NC=CC2=C1C=CC=C2
MDL No. :MFCD06738843
InChI Key :IDFYLSABDUMICK-UHFFFAOYSA-N
Pubchem ID :15887436

Safety of [ 126653-00-7 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H332-H335
Precautionary Statements:P261-P280-P305+P351+P338

Application In Synthesis of [ 126653-00-7 ]

* 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 [ 126653-00-7 ]

[ 126653-00-7 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 401564-36-1 ]
  • [ 126653-00-7 ]
  • [ 401566-35-6 ]
YieldReaction ConditionsOperation in experiment
21% With sodium cyanoborohydride; In methanol; at 20℃; for 14h; A mixture of 7a (606 mg, 2.02 mmol), 1-(isoquinolin-1-yl)piperazine (692 mg, 2.42 mmol) and sodium cyanoborohydride (130 mg, 2.07 mmol) in methanol (10 mL) was stirred at room temperature for 14 h. The reaction mixture was concentrated under reduced pressure. The residue was poured into a saturated aqueous sodium hydrogen carbonate solution and extracted with chloroform. The extract was washed with brine, dried and concentrated under reduced pressure. The residue was purified by silica gel chromatography with chloroform/methanol (20:1, v/v) to give 3-{(2S,4S)-1-tert-butoxycarbonyl-4-[4-(isoquinolin-1-yl)piperazin-1-yl]pyrrolidin-2-ylcarbonyl}thiazolidine (216 mg, 21%) as a pale-yellow powder.To a solution of the above compound (215 mg, 0432 mmol) in methanol (3 mL) and chloroform (3 mL) was added 4 mol/L hydrochloric acid in 1,4-dioxane (1 mL) and the mixture stirred at room temperature overnight. The reaction mixture was concentrated under reduced pressure, and the residue was crystallized with ethanol to give the title compound (99 mg, 42%) as a pale-yellow powder.
 

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