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Structure of 865758-96-9

Chemical Structure| 865758-96-9

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Product Details of [ 865758-96-9 ]

CAS No. :865758-96-9
Formula : C13H10ClN3O2
M.W : 275.69
SMILES Code : N#CC1=CC=CC=C1CN(C(N2C)=O)C(Cl)=CC2=O
MDL No. :MFCD11558902
InChI Key :BVUJISIVAHYNLI-UHFFFAOYSA-N
Pubchem ID :11346416

Safety of [ 865758-96-9 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302
Precautionary Statements:P280-P305+P351+P338

Application In Synthesis of [ 865758-96-9 ]

* 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 [ 865758-96-9 ]

[ 865758-96-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 865758-96-9 ]
  • [ 103831-11-4 ]
  • (S)-6-(3-aminopyrrolidin-1-yl)-1-(2-cyanobenzyl)-3-methylpyrimidine-2,4(1H,3H)-dione [ No CAS ]
YieldReaction ConditionsOperation in experiment
82% With sodium hydrogencarbonate; In isopropyl alcohol; at 100.0℃; for 2h;Molecular sieve; General procedure: A mixture of 6c (8 g, 22.5 mmol), (R)-3-aminopiperidine dihydrochloride (4.67 g, 27 mmol), NaHCO3 (9.45 g, 112.5 mmol) and activated 4 A MS (2.6 g) in isopropanol (150 mL) was stirred at 100 C for 2 h. The reaction mixture was filtered through Celite and concentrated in vacuo. The residue was diluted with DCM, washed with water and saturated brine, dried over anhydrous Na2SO4, and concentrated. The crude product was purified by flash chromatography (DCM/MeOH/TEA, 100:0.5:0.5) to give pure 2h as a light yellow solid (8 g, 85%).
 

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