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21410-06-0

21410-06-0 Structure

21410-06-0 Structure
IdentificationBack Directory
[Name]

3-BENZYL-7-CHLORO-3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE
[CAS]

21410-06-0
[Synonyms]

3-benzyl-7-chlorotriazolo[4,5-d]pyrimidine
3-BENZYL-7-CHLORO-3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE
3-benzyl-7-chloro-3h - [1,2,3] thiazol [4,5-d] pyrimidine
3H-1,2,3-Triazolo[4,5-d]pyrimidine, 7-chloro-3-(phenylmethyl)-
[Molecular Formula]

C11H8ClN5
[MDL Number]

MFCD09038669
[MOL File]

21410-06-0.mol
[Molecular Weight]

245.67
Chemical PropertiesBack Directory
[Boiling point ]

454.9±35.0 °C(Predicted)
[density ]

1.50±0.1 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[pka]

0.98±0.30(Predicted)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Synthesis]

3-BENZYL-3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-7-OL

21324-31-2

3-BENZYL-7-CHLORO-3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE

21410-06-0

General procedure for the synthesis of 3-benzyl-7-chloro-3H-[1,2,3]-triazolo[4,5-d]pyrimidines from 3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol: To chloroform (50 mL) containing 3-benzyl-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidines (10.56 mmol) suspension, N,N-dimethylformamide (DMF, 2 mL) and thionyl chloride (9 mL) were added sequentially. The reaction mixture was heated to reflux for 3 hours. After completion of the reaction, the solvent was removed by evaporation under reduced pressure at a temperature below 35 °C. The crude product was purified by silica gel column chromatography with mixed petroleum ether-ethyl acetate solvent as eluent. The final white solid product 3-benzyl-7-chloro-3H-[1,2,3]-triazolo[4,5-d]pyrimidine (1.14 g, 44% yield) was obtained.

[References]

[1] Patent: EP1598354, 2005, A1. Location in patent: Page/Page column 88
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