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HomeProduct name list1H-1,2,4-Triazole-1-carboximidamide hydrochloride

1H-1,2,4-Triazole-1-carboximidamide hydrochloride

Synonym(s):1-Amidino-1H-1,2,4-triazole hydrochloride

  • CAS NO.:19503-26-5
  • Empirical Formula: C3H6ClN5
  • Molecular Weight: 147.57
  • MDL number: MFCD03095468
  • EINECS: 606-331-2
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2023-11-22 14:05:49
1H-1,2,4-Triazole-1-carboximidamide hydrochloride Structural

What is 1H-1,2,4-Triazole-1-carboximidamide hydrochloride?

Chemical properties

White crystalline

The Uses of 1H-1,2,4-Triazole-1-carboximidamide hydrochloride

[1,2,4]Triazole-1-carboxamidine is an intermediate used in the synthesis of peramivir (P285500), a neuraminidase inhibitor developed as an antiviral agent for the treatment of influenza.

Synthesis

1H-1,2,4-Triazole-1-carboxamidine hydrochloride is prepared by the reaction of dicyandiamide and 1,2,4-Triazole. The steps are as follows:
Dissolve the compound (19.7 g, 0.29 mol) in 20 ml of tetrahydrofuran, and the temperature was raised to 70℃. A solution of dicyandiamide (20 g, 0.24 mol) was added and a solution of 4 mol / L HCl in tetrahydrofuran 27 g, 0.26 mol) at 70℃ for 2 h, the temperature was removed and cooled to room temperature. The solid was removed by filtration and 26.0 g was removed by filtration. The solvent was dried in vacuo at 45℃ to give a colorless oil which was recrystallized from methanol: dichloromethane = 2: 1 Of the mixed solution 50ml recrystallization, cooling crystallization, suction filter to get 6.2g solid, drying a total of 30.1g white powder. Yield 90.3%, purity 99,8%.
1H-1,2,4-Triazole-1-carboxamidine hydrochloride synthesis

Properties of 1H-1,2,4-Triazole-1-carboximidamide hydrochloride

Melting point: 215-220 °C
storage temp.  Inert atmosphere,Room Temperature
Water Solubility  Soluble in water
form  powder to crystal
color  White to Almost white
BRN  9500271
InChI InChI=1S/C3H5N5.ClH/c4-3(5)8-2-6-1-7-8;/h1-2H,(H3,4,5);1H
CAS DataBase Reference 19503-26-5

Safety information for 1H-1,2,4-Triazole-1-carboximidamide hydrochloride

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H317:Sensitisation, Skin
H319:Serious eye damage/eye irritation
H412:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P337+P313:IF eye irritation persists: Get medical advice/attention.

Computed Descriptors for 1H-1,2,4-Triazole-1-carboximidamide hydrochloride

InChIKey JDDXNENZFOOLTP-UHFFFAOYSA-N
SMILES C(N1N=CN=C1)(N)=N.Cl

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