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Chemical Structure| 153895-80-8 Chemical Structure| 153895-80-8

Structure of 153895-80-8

Chemical Structure| 153895-80-8

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Product Details of [ 153895-80-8 ]

CAS No. :153895-80-8
Formula : C6H10N2O3
M.W : 158.16
SMILES Code : O=C(C(C1)CNNC1=O)OC
MDL No. :MFCD00243485
InChI Key :DLDWDQWZWAVSJB-UHFFFAOYSA-N
Pubchem ID :4321628

Safety of [ 153895-80-8 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319
Precautionary Statements:P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Application In Synthesis of [ 153895-80-8 ]

* 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 [ 153895-80-8 ]

[ 153895-80-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 153895-80-8 ]
  • [ 867130-58-3 ]
YieldReaction ConditionsOperation in experiment
13.9 g With hydrogen bromide; dihydrogen peroxide; acetic acid; In water; at -10℃; for 5.75h;Cooling; Reflux; [0032] One-pot Synthesis of 6-oxo-1H-pyridazine-4-carboxylic acid (5)25.8 g of an aqueous hydrogen peroxide solution (35 %) were slowly added under cooling to a solution of 87.4 ghydrobromic acid (48 %) in 100 mL acetic acid so that the temperature did not exceed 15 C. The solution was cooledto -10 C. A solution of 20 g methyl 6-oxohexahydro-pyridazine-4-carboxylate 11 in 70 mL water was added over 15minutes so that the temperature did not exceed -5 C. The reaction mixture was stirred for 2 hours at 0 C. Subsequently,the mixture was heated under reflux for 3.5 hours. The reaction mixture was cooled to 0 C. The precipitated productwas filtered by suction, washed with water and dried under reduced pressure at 50 C.[0033] Yield: 13.9 g (78 % of theory) of 6-oxo-1H-pyridazine-4-carboxylic acid 5 as a solid. 1H NMR (400 MHz, DMSOd6)delta (ppm) 14.0 (bs, 1H), 13.4 (bs, 1H), 8.13 (d, 1H, J = 1.95 Hz), 7.23 (d, 1H, J = 1.95 Hz).
 

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