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Chemical Structure| 23255-20-1 Chemical Structure| 23255-20-1

Structure of 23255-20-1

Chemical Structure| 23255-20-1

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Product Details of [ 23255-20-1 ]

CAS No. :23255-20-1
Formula : C6H7N3
M.W : 121.14
SMILES Code : N=C(C1=CC=CN=C1)N
MDL No. :MFCD03426323

Safety of [ 23255-20-1 ]

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

Application In Synthesis of [ 23255-20-1 ]

* 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 [ 23255-20-1 ]

[ 23255-20-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 23255-20-1 ]
  • [ 52133-67-2 ]
  • 2-(pyridin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-ol [ No CAS ]
YieldReaction ConditionsOperation in experiment
41.8% Method AJ: 2-(Pyridin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-ol (xliii) To a solution of nicotinimidamide (5.03 g, 41.6 mmol, 1.2 eq.) in EtOH (100 mL), was added NaOMe (4.8 g, 88.8 mmol, 2.5 eq.). The mixture was stirred at room temperature for 4 h. The reaction mixture was added to <strong>[52133-67-2]ethyl 2-cyano-4,4-diethoxybutanoate</strong> (8.00 g, 34.9 mmol, 1 eq.). This mixture was stirred at 105° C. overnight. After cooling, the reaction mixture was acidified with conc. HCl and stirred at room temperature for 2 h. A precipitate formed and was collected and washed with H2O (20 mL*2). After lyophilization, 3.10 g of product was obtained as a gray yellow solid (yield 41.8percent). LCMS m/z=213.1 (M+1) (Method B) (retention time=1.07 min). 1H NMR (400 MHz, DMSO-d6): delta 12.26 (s, 1H), 12.04 (s, 1H), 9.23 (d, J=1.6 Hz, 1H), 8.70 (dd, J=4.8, 1.2 Hz, 1H), 8.43-8.40 (m, 1H), 7.55 (dd, J=8.0, 4.8 Hz, 1H), 7.12 (d, J=1.6 Hz, 1H), 6.51 (d, J=2.8 Hz, 1H).
41.8% To a solution of nicotinimide amide (5.03 g, 41.6 mmol, 1.2 eq) in EtOH (100 mL)NaOMe (4.8 g, 88.8 mmol, 2.5 eq) was added.The mixture was stirred at room temperature for 4 hours.The reaction mixture was added to <strong>[52133-67-2]ethyl 2-cyano-4,4-diethoxybutanoate</strong> (8.00 g, 34.9 mmol, 1 eq). The mixture was stirred at 105 ° C. overnight.After cooling, the reaction mixture was acidified with cone. HCl and stirred at room temperature for 2 hours.A precipitate formed, which was collected and washed with H 2 O (20 mL × 2).Upon lyophilization, 3.10 g of the product was obtained as a grayish yellow solid (yield 41.8percent).
 

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