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Chemical Structure| 52583-87-6 Chemical Structure| 52583-87-6

Structure of 52583-87-6

Chemical Structure| 52583-87-6

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Product Details of [ 52583-87-6 ]

CAS No. :52583-87-6
Formula : C7H7N3
M.W : 133.15
SMILES Code : N#CC1=C(NC)N=CC=C1
MDL No. :MFCD08689752
InChI Key :AGZQPTBBDDQFKJ-UHFFFAOYSA-N
Pubchem ID :12457191

Safety of [ 52583-87-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H312-H315-H319-H332-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 52583-87-6 ]

* 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 [ 52583-87-6 ]

[ 52583-87-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 52583-87-6 ]
  • [ 103976-52-9 ]
YieldReaction ConditionsOperation in experiment
73% With dihydrogen peroxide; potassium carbonate; In dimethyl sulfoxide; at 20.0℃; for 1.0h; 2-(Methylamino)nicotinonitrile (600 mg, 4.51 mmol), potassium carbonate (1.87 mg, 0.130 mmol) and hydrogen peroxide (0.1 mL) were dissolved in dimethylsulfoxide (10 mL), reacted for 1 hour at room temperature and quenched by the addition of water (10 mL). The reaction solution was extracted with ethyl acetate (10 mL x 3), dried over anhydrous sodium sulfate, filtered, and the filtrate was concentrated under reduced pressure, and purified on a silica gel plate (1: 1 petroleum ether / ethyl acetate, Rf = 0.2) to give 2-(methylamino)pyridine-3-carboxamide (500 mg, white solid) with a yield of 73%. 1H NMR: (400 MHz, DMSO-d6) δ 8.45-8.40(br, 1H), 8.28(d, J = 2.0 Hz, 1H), 7.95-7.93(m, 2H), 7.35-7.30(br, 1H), 6.53(dd, J = 7.6, 2.0 Hz, 1H), 3.03(d, J = 4.8 Hz, 3H). MS-ESI calcd. [M + H]+ 152, found 152.
73% With dihydrogen peroxide; potassium carbonate; In dimethyl sulfoxide; at 20.0℃; for 1.0h; 2-(Methylamino)nicotinonitrile (600 mg, 4.51 mmol), potassium carbonate (1.87 mg, 0.130 mmol), hydrogen peroxide (0.1 mL) were dissolved in dimethyl sulfoxide (10 mL), followed by reaction at room temperature for 1 hour. The reaction was quenched by adding water (10 mL). The reaction solution was extracted with ethyl acetate (10 mL*3), dried over anhydrous sodium sulfate, and then filtered. The filtrate was concentrated under reduced pressure and then purified by silica gel preparative plate (1:1 petroleum ether/ethyl acetate, Rf-0.2) to give 2-(methylamino)pyridin-3-carboxamide (500 mg, white solid) with a yield of 73%. 1H NMR: (400 MHz, DMSO-d6) δ8.45-8.40 (br, 1H), 8.28 (d, J=2.0 Hz, 1H), 7.95-7.93 (m, 2H), 7.35-7.30 (br, 1H), 6.53 (dd, J=7.6, 2.0 Hz, 1H), 3.03 (d, J=4.8 Hz, 3H). MS-ESI calculated value: [M+H]+ 152; measured value: 152.
 

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