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Chemical Structure| 6647-96-7 Chemical Structure| 6647-96-7

Structure of 6647-96-7

Chemical Structure| 6647-96-7

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Product Details of [ 6647-96-7 ]

CAS No. :6647-96-7
Formula : C5H7IN2
M.W : 222.03
SMILES Code : CC1=C(I)C=NN1C
MDL No. :MFCD15146432
InChI Key :QXAYSWMALOLASK-UHFFFAOYSA-N
Pubchem ID :12383785

Safety of [ 6647-96-7 ]

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

Application In Synthesis of [ 6647-96-7 ]

* 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 [ 6647-96-7 ]

[ 6647-96-7 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 1453-58-3 ]
  • [ 77-78-1 ]
  • [ 6647-97-8 ]
  • [ 6647-96-7 ]
  • 2
  • [ 694-31-5 ]
  • [ 6647-96-7 ]
YieldReaction ConditionsOperation in experiment
79% With N-iodo-succinimide; In N,N-dimethyl-formamide; at 10 - 15℃; for 64h; N-Iodosuccinimide (35.8 g, 159 mmol) was added to a 10 C. solution of <strong>[694-31-5]1,5-dimethyl-1H-pyrazole</strong> (15.3 g, 159 mmol) in N,N-dimethylformamide (20 mL). The reaction mixture was stirred at 10 C. for 16 hours, and at 15 C. for 48 hours, whereupon it was diluted with ethyl acetate (500 mL) and washed sequentially with water (3*100 mL), aqueous sodium sulfite solution (100 mL), and saturated aqueous sodium chloride solution (50 mL). The organic layer was dried over sodium sulfate, filtered, and concentrated in vacuo to afford the product as a white solid. Yield: 28.0 g, 126 mmol, 79%. 1H NMR (400 MHz, CDCl3) delta 7.41 (s, 1H), 3.85 (s, 3H), 2.29 (s, 3H).
 

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