ChemicalBook--->CAS DataBase List--->51039-49-7

51039-49-7

51039-49-7 Structure

51039-49-7 Structure
IdentificationBack Directory
[Name]

2-Phenyl-2H-1,2,3-triazole
[CAS]

51039-49-7
[Synonyms]

2-Phenyltriazole
2-Phenyl-1,2,3-triazole
2-Phenyl-2H-1,2,3-triazole
2H-1,2,3-Triazole, 2-phenyl-
[Molecular Formula]

C8H7N3
[MDL Number]

MFCD01104764
[MOL File]

51039-49-7.mol
[Molecular Weight]

145.16
Chemical PropertiesBack Directory
[Melting point ]

162℃
[Boiling point ]

280℃
[density ]

1.16
[refractive index ]

1.5875
[Fp ]

123℃
[storage temp. ]

Sealed in dry,Room Temperature
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Chemical Properties]

Pale yellow solid
[Synthesis]

Ethanedial, bis(phenylhydrazone), (E,E)-

29841-71-2

2-Phenyl-2H-1,2,3-triazole

51039-49-7

Step 2. Synthesis of 2-phenyl-2H-1,2,3-triazole. [1.1.5b] Compound 1.1.5a (2.9 g, 12.17 mmol) was suspended in a glass pressure vessel containing ethylene glycol (50 mL) and copper(II) trifluoromethanesulfonate (0.220 g, 0.609 mmol) was added. The reaction mixture was stirred at 180°C for 2 hours, followed by continued stirring at room temperature for 24 hours. After completion of the reaction, the mixture was partitioned between water and ethyl acetate. The organic and aqueous phases were separated and the aqueous phase was further extracted with ethyl acetate. All organic phases were combined, washed sequentially with water and brine, and then dried over anhydrous sodium sulfate. The desiccant was removed by filtration and the filtrate was concentrated onto silica gel and finally purified by silica gel column chromatography to afford the target product 1.1.5b (1.22 g, 69.1% yield). The product showed m/z 146.2 [M + H]+ by LCMS, 1H NMR (400 MHz, CDCl3) δ 8.10 (d, J = 7.83 Hz, 2H), 7.82 (s, 2H), 7.50 (t, J = 7.83 Hz, 2H), 7.32-7.41 (m, 1H).

[References]

[1] Patent: WO2014/160649, 2014, A1. Location in patent: Page/Page column 76
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