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Chemical Structure| 54070-74-5 Chemical Structure| 54070-74-5

Structure of 54070-74-5

Chemical Structure| 54070-74-5

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Product Details of [ 54070-74-5 ]

CAS No. :54070-74-5
Formula : C4H8N2
M.W : 84.12
SMILES Code : N=C(C1CC1)N
MDL No. :MFCD00939259

Safety of [ 54070-74-5 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H332-H335
Precautionary Statements:P261-P280-P305+P351+P338

Application In Synthesis of [ 54070-74-5 ]

* 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 [ 54070-74-5 ]

[ 54070-74-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 57297-29-7 ]
  • [ 54070-74-5 ]
YieldReaction ConditionsOperation in experiment
With sodium methylate; In methanol; at 20℃; for 0.25h; Sodium (646 mg, 28 mmol) is dissolved in methanol (50 ml) under a nitrogen atmosphere. Cyclopropanecarboximidamide hydrochloride (3.40 g, 28 mmol) is added in one portion. The mixture is stirred at room temperature for 0.25 h, then filtered upon hyflocel. The filtrate is concentrated in vacuo. This free base is added to a solution of sodium (1.29 g, 56 mmol) in methanol (50 ml) under a nitrogen atmosphere, at room temperature. Diethylfluoromalonate (5 g, 28 mmol) is added and the mixture is stirred at 60 °C for 5 h. The solvent is evaporated and the yellowish solid obtained is dissolved in 60 ml of water. The pH is adjusted at 6 with a 5 N HC1 solution and the white precipitate formed is filtered and dried. 2-cyclopropyl-5-fluoro- 4, 6-pyrimidinediol 3 (3.6 g, 76 percent) is obtained as a white powder and used in the next step without further purification. 1H NMR (250 MHz, DMSO): 0.95 (m, 4H), 1.83 (m, 1H), 12.1 (bs, 2H); Sodium (0.417 g, 18.1 mmol) is dissolved in methanol (65 ml) under a nitrogen atmosphere. Cyclopropanecarboximidamide hydrochloride (2.19 g, 18.1 mmol) is added in one portion. The mixture is stirred at room temperature for 0.25 h, then filtered upon hyflocel. The filtrate is concentrated in vacuo to 30 ml. This free base is added to a solution of sodium (0.834 g, 36.2 mmol) in methanol (130 ml) under a nitrogen atmosphere, at room temperature. 2-ethoxy-4, 5-dihydro-3H-pyrrole-3- carboxylic acid ethyl ester (3.4 g, 18.1 mmol) in methanol is added and the mixture is stirred at 60 °C overnight. After cooling, the solvent is evaporated and the solid obtained is dissolved in water. The pH is adjusted at 5 with a 5 N HC1 solution and the white precipitate formed is filtered and dried. 2-cyclopropyl-6,7-dihydro-5H- pyrrolo [2,3-d] pyrimidin-4-ol 48 (1.88 g, 59 percent) is obtained as a white powder and used in the next step without further purification. MS (MH+): 178.
 

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