| Identification | Back Directory | [Name]
2-QUINOXALINECARBOXAMIDE | [CAS]
5182-90-1 | [Synonyms]
QUI
0.1 mol CH3OH
2-QUINOXALINECARBOXAMIDE | [Molecular Formula]
C9H7N3O | [MDL Number]
MFCD01684982 | [MOL File]
5182-90-1.mol | [Molecular Weight]
173.17 |
| Chemical Properties | Back Directory | [Melting point ]
199-201 °C | [Boiling point ]
430.8±25.0 °C(Predicted) | [density ]
1.345±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [pka]
13.93±0.30(Predicted) |
| Hazard Information | Back Directory | [Synthesis Reference(s)]
Journal of Heterocyclic Chemistry, 24, p. 949, 1987 DOI: 10.1002/jhet.5570240412
Tetrahedron Letters, 11, p. 15, 1970 | [Synthesis]
General procedure for the synthesis of 2-quinoxalinecarboxamide from methyl quinoxaline-2-carboxylate: freshly prepared saturated ammonia (20 mL) was mixed with methyl quinoxaline-2-carboxylate (115 mg, 0.612 mmol) and the reaction was stirred for 18 h at room temperature. After completion of the reaction, the solvent was removed by evaporation under reduced pressure to give an off-white solid product in quantitative yield. Elemental analysis results (C9H7N3O, molecular weight 173.06): calculated values C 62.40%, H 4.07%, N 24.26%; measured values C 62.40%, H 4.11%, N 23.94%. 1H NMR (400 MHz, d6-DMSO) data: δ 9.439 (s, 1H, H5), 8.237 (dd, J1- 2 = 8 Hz, J1-3 = 2 Hz, 1H, H1), 8.194 (dd, J4-3 = 8 Hz, J4-2 = 0.8 Hz, 1H, H4), 7.997 (q-br, J2/3-3/2/1/4 = 10 Hz, 2H, H2/3). | [References]
[1] Supramolecular Chemistry, 2015, vol. 27, # 11-12, p. 780 - 786
[2] Patent: WO2018/116072, 2018, A1. Location in patent: Page/Page column 74
[3] Pharmaceutical bulletin, 1957, vol. 5, # 3, p. 277 - 279
[4] Journal of Medicinal Chemistry, 2002, vol. 45, # 25, p. 5604 - 5606 |
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