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Chemical Structure| 21667-63-0 Chemical Structure| 21667-63-0

Structure of 21667-63-0

Chemical Structure| 21667-63-0

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Product Details of [ 21667-63-0 ]

CAS No. :21667-63-0
Formula : C10H6N2O
M.W : 170.17
SMILES Code : N#CC1=CC=CC(C(CC#N)=O)=C1
MDL No. :MFCD09756510

Safety of [ 21667-63-0 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H332-H335
Precautionary Statements:P280-P305+P351+P338-P310

Application In Synthesis of [ 21667-63-0 ]

* 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 [ 21667-63-0 ]

[ 21667-63-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 13531-48-1 ]
  • [ 75-05-8 ]
  • [ 21667-63-0 ]
YieldReaction ConditionsOperation in experiment
18% To a stirred solution of acetonitrile (3.8g; 93 mmol) in toluene (60 mL) was added sodiumhydride (1.48 g; 38 mmol) at 0°C. The stirring was continued for 30 minutes and then methyl3-cyanobenzoate (XXVIII; 3 g; 18 mmol) was added. The reaction mixture was stirred at100°C for 12 hours. The reaction mixture was cooled and concentrated and diluted with icecold water. The reaction mixture was acidified using iN HC1. The aqueous layer was extracted with ethyl acetate (3 x 25 mL). The combined organic layers were washed with brine, dried over Na2SO4, filtered and concentrated under vacuum to afford 3 -(2-cyanoacetyl)benzonitrile as a yellow solid (XXIX; 2.7 g, 18percent yield). MS (M-1): 169.10.
 

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