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Chemical Structure| 437701-80-9 Chemical Structure| 437701-80-9

Structure of 437701-80-9

Chemical Structure| 437701-80-9

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Product Details of [ 437701-80-9 ]

CAS No. :437701-80-9
Formula : C4H5N3O
M.W : 111.10
SMILES Code : O=C(C1=CNN=C1)N
MDL No. :MFCD10001535

Safety of [ 437701-80-9 ]

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 [ 437701-80-9 ]

* 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 [ 437701-80-9 ]

[ 437701-80-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 37718-11-9 ]
  • [ 437701-80-9 ]
YieldReaction ConditionsOperation in experiment
INTERMEDIATE 61H N-N1 H-Pyrazole-4-carboxamide The mixture of <strong>[37718-11-9]1H-<strong>[37718-11-9]pyrazole-4-carboxylic acid</strong></strong> (2.0 g, 17.8 mmol) and thionyl chloride (20 mL, 168 mmol) was heated to reflux. After 4 h, the reaction mixture was concentrated, and then dried at reduced pressure for 0.5 h. The resulting residue was dissolved in CH2Cl2 (35 mL), cooled to 0 C and added to a solution of ammonium hydroxide (46.8 mL, 357 mmol) in CH2Cl2 (20 mL). The reaction mixture was warmed to rt and stirred for 12 h. After which point, the mixture was concentrated and CH3OH /CHiCl2 (1 : 10, 40 ml) were added and stirred for 10 min. The solution was filtered and washed with CH3OH /CH2Cl2 (1:10). The filtrate was concentrated to give the title compound (1.5 g), which was used in the next step without purification. LC/MS: m/e 112.0 (M+H)+.
Description 16;. llZ-Pyrazole-4~carboxamideA solution of lH-<strong>[37718-11-9]pyrazole-4-carboxylic acid</strong> (56 mg, 0,50 mmol) in thionyl chloride (4 mL) was heated at 75°C for 4 hours. After cooling, the solution was evaporated to dryness. The residue was dissolved in dioxane (5 mL) and this solution was added to a rapidly stirred solution of ammonium hydroxide in water. After 1 hour the mixture was evaporated to dryness to give the title compound.
The mixture of <strong>[37718-11-9]1H-<strong>[37718-11-9]pyrazole-4-carboxylic acid</strong></strong> (2.0 g, 17.8 mmol) and thionyl chloride (20 mL, 168 mmol) was heated to reflux. After 4 h, the reaction mixture was concentrated, and then dried at reduced pressure for 0.5 h. The resulting residue was dissolved in CH2Cl2 (35 mL), cooled to 0° C. and added to a solution of ammonium hydroxide (46.8 mL, 357 mmol) in CH2Cl2 (20 mL). The reaction mixture was warmed to rt and stirred for 12 h. After which point, the mixture was concentrated and CH3OH/CH2Cl2 (1:10, 40 ml) were added and stirred for 10 min. The solution was filtered and washed with CH3OH/CH2Cl2 (1:10). The filtrate was concentrated to give the title compound (1.5 g), which was used in the next step without purification. LC/MS: m/e 112.0 (M+H)+.
 

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