| Identification | Back Directory | [Name]
5-PHENYL-1H-1,2,4-TRIAZOL-3-AMINE | [CAS]
4922-98-9 | [Synonyms]
NSC 34794
NSC 96969
2-fenil-5-amino-1,3,4-triazolo
3-AMINO-5-PHENYL-1,2,4-TRIAZOLE
4-triazol-3-amine,5-phenyl-1h-2
4-triazole,3-amino-5-phenyl-1h-2
3-Phenyl-1H-1,2,4-triazol-5-amine
5-PHENYL-1H-1,2,4-TRIAZOL-3-AMINE
3-amino-5-phenyl-1h-1,2,4-triazole
3-Phenyl-1H-1,2,4-triazole-5-amine
3-Phenyl-5-amino-1H-1,2,4-triazole
5-Amino-3-phenyl-1H-1,2,4-triazole
5-Phenyl-2H-1,2,4-triazole-3-amine
5-Amino-2-phenyl-1H-1,3,4-triazole
1H-1,2,4-Triazol-5-amine, 3-phenyl-
1H-1,2,4-triazol-3-amine, 5-phenyl-
5-PHENYL-1H-[1,2,4]TRIAZOL-3-YLAMINE
1H-1,2,4-Triazole, 3-amino-5-phenyl-
2-Fenil-5-amino-1,3,4-triazolo [Italian]
1H-1,2,4-Triazol-3-amine, 5-phenyl- (9CI)
5-Phenyl-1H-1,2,4-Triazol-3-Amine(WXC04201)
5-phenyl-1H-1,2,4-triazol-3-amine nitrate hydrate | [Molecular Formula]
C8H8N4 | [MDL Number]
MFCD00086332 | [MOL File]
4922-98-9.mol | [Molecular Weight]
160.18 |
| Chemical Properties | Back Directory | [Melting point ]
191-193℃ | [Boiling point ]
276.07°C (rough estimate) | [density ]
1.315±0.06 g/cm3 (20 ºC 760 Torr) | [refractive index ]
1.5872 (estimate) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2–8 °C | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
powder to crystal | [pka]
10.78±0.40(Predicted) | [color ]
Crystals from water | [InChI]
InChI=1S/C8H8N4/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12) | [InChIKey]
GHUDJFJZFUVPIQ-UHFFFAOYSA-N | [SMILES]
N1C(N)=NC(C2=CC=CC=C2)=N1 |
| Hazard Information | Back Directory | [Uses]
5-Phenyl-4h-1,2,4-triazol-3-amine, is an intermediate in the synthesis of WP155. 5-Phenyl-4h-1,2,4-triazol-3-amine is also used in biological studies to evaluate its pharmacological activity as it can be applied to a method for reducing susceptibility to tumor formation induced by 3-deoxyglucosone and precursors thereof. | [Safety Profile]
Reaction with nitrous acid gives atouch sensitive explosive product. Upon decomposition itemits toxic fumes of NOx. | [Synthesis]
N-benzamidoguanidine (4.76 g, 26.7 mmol) was used as raw material and dissolved in 40 mL of water. The reaction mixture was heated to 110 °C and refluxed for 6 hours. After completion of the reaction, the solvent was removed by distillation under reduced pressure to afford the target product 3-phenyl-1H-1,2,4-triazol-5-amine (3.0 g, 18.7 mmol, 70.1% yield). | [References]
[1] Patent: JP6099045, 2017, B2. Location in patent: Paragraph 0064
[2] Journal of Medicinal Chemistry, 1996, vol. 39, # 15, p. 3019 - 3029
[3] Bioorganic Chemistry, 2013, vol. 50, p. 34 - 40
[4] European Journal of Medicinal Chemistry, 2016, vol. 113, p. 11 - 27
[5] European Journal of Medicinal Chemistry, 2018, vol. 156, p. 774 - 789 |
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