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Chemical Structure| 16795-72-5 Chemical Structure| 16795-72-5

Structure of 16795-72-5

Chemical Structure| 16795-72-5

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Product Details of [ 16795-72-5 ]

CAS No. :16795-72-5
Formula : C8H6N2O
M.W : 146.15
SMILES Code : O=C1C=CNC2=CC=CN=C12
MDL No. :MFCD09833596

Safety of [ 16795-72-5 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H320-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis of [ 16795-72-5 ]

* 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 [ 16795-72-5 ]

[ 16795-72-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 25063-68-7 ]
  • [ 16795-72-5 ]
YieldReaction ConditionsOperation in experiment
75% With dowtherm A; at 250℃; for 1h;Inert atmosphere; To a flask containing 8a (2.6 g, 10.4 mmol) under nitrogen atmosphere was added Dowtherm A (150 mL) and placed in a pre-heated oil bath (250 C) and stirred at reflux for 1 h. During thereaction, the color of the solution changed from orange yellow to dark brown. After cooling down to room temperature, the reaction solution was filtered to isolate solid product. The solid was rinsed with diphenyl ether and acetone to give the desired product as a dark solid. Yield = 1.14 g (75%). 1H NMR (400 MHz, CD3OD + one drop TFA): 69.07 (d, J = 4.8 Hz, 1 H), 8.72 (d, J = 8.8 Hz, 1 H), 8.61 (d, J = 7.2 Hz,1 H), 8.22 (dd, J = 8.8 Hz, J = 4.8 Hz, 1 H), 7.07 (d, J = 7.2 Hz, 1 H). 130 NMR (125 MHz, CD3OD+ one drop TEA): 6172.3,147.5,145.5, 138.6, 134.8,134.4,130.1,112.2. ESI-MS (+): m/z 147.29 [M+H].
 

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