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Chemical Structure| 16341-54-1 Chemical Structure| 16341-54-1

Structure of 16341-54-1

Chemical Structure| 16341-54-1

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Product Details of [ 16341-54-1 ]

CAS No. :16341-54-1
Formula : C7H8N4
M.W : 148.17
SMILES Code : N#CC1=C(C)N=C(N)N=C1C
MDL No. :MFCD18821968

Safety of [ 16341-54-1 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301-H311-H331
Precautionary Statements:P261-P280-P301+P310-P311
Class:6.1
UN#:2811
Packing Group:

Application In Synthesis of [ 16341-54-1 ]

* 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 [ 16341-54-1 ]

[ 16341-54-1 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 4214-57-7 ]
  • [ 544-92-3 ]
  • [ 16341-54-1 ]
  • 2
  • [ 4214-57-7 ]
  • copper(l) cyanide [ No CAS ]
  • [ 16341-54-1 ]
YieldReaction ConditionsOperation in experiment
54% In N,N-dimethyl-formamide; at 180℃; for 16h; To a solution of Intermediate 42A (6.00 g, 29.70 mmol) in DMF (50 mL) was added copper (I) cyanide (3.99 g, 44.55 mmol) and the resulting mixture was heated at 180 C for 16 h. The reaction mixture was cooled to ambient temperature, diluted with water (50 mL) and ethyl aceate (100 mL). The resulting mixture was filtered through Celite and the filtrate was concentrated under reduced pressure to obtain Intermediate 42B (3.00 g, 54.00%). The compound was taken directly to the subsequent step without further purification.1H NMR (400 MHz, DMSO-d6) G ppm 2.32-2.41 (m, 6 H), 7.533 (s, 2 H). LCMS (Method-D): retention time 0.72 min, [M+H] 149.1.
In N,N-dimethyl-formamide; at 180℃; for 16h; A solution of Intermediate 83A (6.00 g, 29.70 mmol) and copper (I) cyanide (3.99 g, 44.55 mmol) in DMF (50 mL) was heated at 180 C for 16 h. The reaction mixture was cooled to ambient temperature, diluted with water (50 mL) and EtOAc (100 mL). The resulting mixture was filtered through Celite and the filtrate was concentrated under reduced pressure to obtain Intermediate 83A (3 g, crude product).1H NMR (400 MHz, DMSO-d6) delta ppm 2.32-2.41 (m, 6 H), 7.533 (s, 2 H). LCMS (Method-D): retention time 0.725 min, [M+H] 149.1.
 

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