ChemicalBook--->CAS DataBase List--->918538-04-2

918538-04-2

918538-04-2 Structure

918538-04-2 Structure
IdentificationBack Directory
[Name]

PYRROLO[2,1-F][1,2,4]TRIAZINE-2,4-DIONE
[CAS]

918538-04-2
[Synonyms]

Pyrrolo[2,1-f][1,2,4]tria...
PYRROLO[2,1-F][1,2,4]TRIAZINE-2,4-DIONE
Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)
1H-pyrrolo[2,1-f][1,2,4]triazine-2,4-dione
pyrrolo[1,2-f][1,2,4]triazine-2,4(1H,3H)-dione
PYRROLO[1,2-D][1,2,4]TRIAZINE-2,4(1H,3H)-DIONE
Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione
Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione (96%)
[Molecular Formula]

C6H5N3O2
[MDL Number]

MFCD11053713
[MOL File]

918538-04-2.mol
[Molecular Weight]

151.12
Chemical PropertiesBack Directory
[density ]

1.74±0.1 g/cm3 (20 ºC 760 Torr)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

4.92±0.20(Predicted)
[Appearance]

brown solid
Safety DataBack Directory
[HS Code ]

2933998090
Spectrum DetailBack Directory
[Spectrum Detail]

PYRROLO[2,1-F][1,2,4]TRIAZINE-2,4-DIONE(918538-04-2)1HNMR
Hazard InformationBack Directory
[Synthesis]

Ethyl chloroformate

541-41-3

1H-Pyrrole-2-carboxamide,1-amino-(9CI)

159326-69-9

PYRROLO[2,1-F][1,2,4]TRIAZINE-2,4-DIONE

918538-04-2

(Step 13) Synthesis of pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione: [0342] 1-Amino-1H-pyrrole-2-carboxamide (14.00 g, 0.11 mol) and pyridine (9.90 mL, 0.12 mol) were suspended in anhydrous 1,4-dioxane (120 mL), followed by addition of ethyl chloroformate ( 11.70 mL, 0.12 mol). The reaction mixture was stirred under reflux conditions for 1 h and then concentrated under vacuum. The residue was continued to stir at 155 °C for 17 h. After cooling to room temperature, the mixture was diluted with methanol (50 mL). The resulting mixture was stirred at -15 °C for 2 h. The mixture was filtered, the solid product was collected and dried overnight at 60 °C through a vacuum desiccator to afford gray solid pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione (12.70 g, 75% yield). Mass spectrum (ESI, cation mode) m/z: 152.2 [M + H]+; 1H NMR (400 MHz, DMSO-d6): δ (ppm) 12.96 (s, 1H), 11.7 (s, 1H), 7.13 (m, 1H), 6.75 (dd, J = 4.4, 1.6 Hz, 1H), 6.34 (dd, J = 4.3, 2.6 Hz, 1H).

[References]

[1] Patent: WO2016/190847, 2016, A1. Location in patent: Paragraph 0342
[2] Patent: CN104974163, 2017, B. Location in patent: Paragraph 0518; 0519; 0520; 0521
[3] Patent: WO2017/219800, 2017, A1. Location in patent: Paragraph 0082; 0083
[4] Patent: US2007/4731, 2007, A1. Location in patent: Page/Page column 15
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