ChemicalBook--->CAS DataBase List--->159326-71-3

159326-71-3

159326-71-3 Structure

159326-71-3 Structure
IdentificationBack Directory
[Name]

3H-Pyrrolo[2,1-f][1,2,4]triazin-4-one
[CAS]

159326-71-3
[Synonyms]

SKL490
PYRROLO[2,1-F][1,2,4]TRIAZIN-4-OL
Pyrrolo[2,1-f][1,2,4]triazin-4(3H)
3H-Pyrrolo[2,1-f][1,2,4]triazin-4-one
3H-pyrrolo[1,2-d][1,2,4]triazin-4-one
1H-pyrrolo[2,1-f][1,2,4]triazin-4-one
Pyrrolo[2,1-f][1,2,4]triazin-4(1H)-one
Pyrrolo[2,1-f][1,2,4]triazin-4(3H)-one
3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one
1H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one
[Molecular Formula]

C6H5N3O
[MDL Number]

MFCD12923122
[MOL File]

159326-71-3.mol
[Molecular Weight]

135.126
Chemical PropertiesBack Directory
[density ]

1.51±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[pka]

8.16±0.20(Predicted)
[Appearance]

Off-white to light brown Solid
Hazard InformationBack Directory
[Uses]

3H-Pyrrolo[2,1-f][1,2,4]triazin-4-one is used in the synthesis of kinase inhibitors as the template for their creation.
[Synthesis]

1H-Pyrrole-2-carboxylicacid,1-amino-,methylester(9CI)

122181-85-5

formamide

77287-34-4

3H-Pyrrolo[2,1-f][1,2,4]triazin-4-one

159326-71-3

Step 2: Synthesis of pyrrolo[2,1-f][1,2,4]triazin-4(3H)-one; Methyl 1-amino-1H-pyrrole-2-carboxylate (7.5 g, 53.5 mmol) was dissolved in formamide (30 mL). The reaction mixture was first heated at 170 °C for 1 h, and then warmed to 190 °C to continue the reaction for 2 h. The reaction was completed by cooling the mixture for 1 h. The reaction was then continued for 2 h. After completion of the reaction, the mixture was cooled to room temperature. The resulting solid was purified by recrystallization from ethyl acetate to afford the target product pyrrolo[2,1-f][1,2,4]triazin-4(3H)-one as a white solid (5.0 g, 37.0 mmol, 69% yield).1H NMR (400 MHz, CDCl3) δ: 7.57 (s, 1H), 7.47 (dd, J = 2.8 Hz, 1.6 Hz (s, 1H), 7.10 (dd, J = 4.4 Hz, 1.6 Hz, 1H), 7.47 (dd, J = 4.4 Hz, 2.8 Hz, 1H).

[References]

[1] Patent: US2011/183983, 2011, A1. Location in patent: Page/Page column 32
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H317
[Precautionary statements ]

P280
[HazardClass ]

IRRITANT
[HS Code ]

2933998090
Spectrum DetailBack Directory
[Spectrum Detail]

3H-Pyrrolo[2,1-f][1,2,4]triazin-4-one(159326-71-3)1HNMR
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