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Structure of 1061358-09-5

Chemical Structure| 1061358-09-5

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Product Details of [ 1061358-09-5 ]

CAS No. :1061358-09-5
Formula : C7H9N3O
M.W : 151.17
SMILES Code : O=C(NC)C1=CC=NC=C1N
MDL No. :MFCD20482565
InChI Key :RPBHWWDDKIEIFA-UHFFFAOYSA-N
Pubchem ID :53905850

Safety of [ 1061358-09-5 ]

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

Application In Synthesis of [ 1061358-09-5 ]

* 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 [ 1061358-09-5 ]

[ 1061358-09-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 593-51-1 ]
  • [ 7579-20-6 ]
  • [ 1061358-09-5 ]
YieldReaction ConditionsOperation in experiment
With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In N,N-dimethyl-formamide; at 20℃; for 72h; S-Amino^-pyridinecarboxylic acid (500 mg; Maybridge) was dissolved in DMF (20 ml.) under stirring. To this solution, EDC (833 mg) and HOAt (591 mg) were added. Triethylamine (1.514 ml.) and methylamine hydrochloride (293 mg) were added, and the reaction mixture was stirred at RT for 3 days. The solvent was removed by rotary evaporation. After addition of water, the mixture was then extracted with EtOAc (3 x 20 ml.) and the combined organic extracts were washed with aqueous citric acid solution (10percent w/v, 1 x 20 ml_), followed by saturated aqueous sodium bicarbonate solution (1 x 20 ml.) and then brine (1 x 20 ml_). The organic layer was dried over magnesium sulfate and the solvent removed by rotary evaporation. The aqueous layer was extracted with a mixture of DCM and MeOH (4:1 ). The combined organic layers were dried with a phase separation cartridge, and the solvent removed by rotary evaporation. The mixture was purified by Biotage (100 g silica cartridge; eluent DCM / MeOH 0 to 20percent). Two peaks were observed and the fractions from the second one were combined and evaporated to give the title compound (78 mg). m/z [M+H]+: 152.1. Retention time 0.40 min (LC/MS method 4).
 

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