5-Phenyl-1H-1,2,4-triazol-3-amine

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5-Phenyl-1H-1,2,4-triazol-3-amine manufacturers

5-Phenyl-1H-1,2,4-triazol-3-amine Basic information

Product Name:	5-Phenyl-1H-1,2,4-triazol-3-amine
Synonyms:	3-AMINO-5-PHENYL-1,2,4-TRIAZOLE;5-PHENYL-1H-[1,2,4]TRIAZOL-3-YLAMINE;2-fenil-5-amino-1,3,4-triazolo;3-amino-5-phenyl-1h-1,2,4-triazole;4-triazol-3-amine,5-phenyl-1h-2;4-triazole,3-amino-5-phenyl-1h-2;2-Fenil-5-amino-1,3,4-triazolo [Italian];3-Phenyl-1H-1,2,4-triazole-5-amine
CAS:	4922-98-9
MF:	C8H8N4
MW:	160.18
EINECS:
Product Categories:
Mol File:	4922-98-9.mol

5-Phenyl-1H-1,2,4-triazol-3-amine Chemical Properties

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

Safety Information

MSDS Information

5-Phenyl-1H-1,2,4-triazol-3-amine Usage And Synthesis

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	3679-92-3 4922-98-9 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

5-Phenyl-1H-1,2,4-triazol-3-amine Preparation Products And Raw materials

Raw materials	Benzoicacid, 2-(aminoiminomethyl)hydrazide
Preparation Products	5-(chloromethyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(1H)-one

Tag:5-Phenyl-1H-1,2,4-triazol-3-amine(4922-98-9) Related Product Information

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