530352

Methyl-1H-1,2,4-triazole-3-carboxylate

98%

• Empirický vzorec (Hillův zápis): C₄H₅N₃O₂
• Číslo CAS: 4928-88-5
• Molekulová hmotnost: 127.10
• MDL number: MFCD00135989
• UNSPSC Code: 12352100
• PubChem Substance ID: 24877742
• NACRES: NA.22

Vlastnosti

• assay: 98%
• mp: 196-199 °C (lit.)
• functional group: ester
• SMILES string: COC(=O)c1nc[nH]n1
• InChI: 1S/C4H5N3O2/c1-9-4(8)3-5-2-6-7-3/h2H,1H3,(H,5,6,7)
• InChI key: QMPFMODFBNEYJH-UHFFFAOYSA-N

Popis

General description

Methyl-1H-1,2,4-triazole-3-carboxylate can be synthesized from 5-amino-1,2,4-triazole-3-carboxylic acid via esterification with methanol. It is utilized as precursor for preparing the nucleoside analogue, Ribavirin. The crystal structure of methyl-1H-1,2,4-triazole-3-carboxylate has been analyzed.

Application

Methyl-1H-1,2,4-triazole-3-carboxylate (1,2,4-Triazole-3-methylcarboxylate) may be used in the preparation of 1H-1,2,4-triazole-3-carbohydrazide.
It may also be used in the synthesis of the following nucleoside analogues:

• 1-(2,2-dimethyl-6-trityloxymethyl-4,6a-dihydro-3aH-cyclopenta-[1,3]dioxol-4-yl)-1H-1,2,4-triazole-3-carboxylic acid methyl ester
• methyl 4,6-O-benzylidene-2-(methyl 1H-1,2,4-triazol-1-yl-3-carboxylate)-2-deoxy-<SC>D</SC>-altrohexopyranoside
• 1,5-anhydro-4,6-O-benzylidene-2-(methyl 1H-1,2,4-triazol-1-yl-3-carboxylate)-2-deoxy-<SC>D</SC>-altro-hexitol

Bezpečnostní informace

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves