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
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%.
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) |
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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