| Identification | More | [Name]
Methyl 1,2,4-triazole-3-carboxylate | [CAS]
4928-88-5 | [Synonyms]
1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID METHYL ESTER
1H-TRIAZOLE-3-CARBOXYLIC ACID METHYL ESTER
METHYL 1,2,4-TRIAZOLE-3-CARBOXYLATE
METHYL 1H-1,2,4-TRIAZOLE-3-CARBOXYLATE
METHYL 1H-TRIAZOLE-3-CARBOXYLATE
1,2,4-Triazole-3-carboxylatem
1,2,4-triazole-3-carboxylicacidmethylester
1,2,4-Triatoze-3-carboxylic acid Methylester
1,2,4-Triazole-3-methyl carboxylate
1.2.4-triazole-3-methyl-carboxylata
1H-1,2,4-Triazole-3-methylcarboxylate
1,2,4-Triazole-3-CarboxylataAcidMethylEster
1,2,4-Triazole-3-methyl-carbox
1,2,4-TRIAZOLE-3-METHYL CARBOXYLATE (RIBAMETHYLBASE)
1H-1,2,4-Triazole-5-carboxylic acid, methyl ester
3-Methoxycarbonyl-1,2,4-triazole
1H-1,2,4-TRIAZOLE-3-CARBOXYLATE, METHYL ESTER
1H-1,2,4-TRIAZOLE-3-CARBOXYLATE, METHYL ESTERRIBAVIRIN | [EINECS(EC#)]
480-470-5 | [Molecular Formula]
C4H5N3O2 | [MDL Number]
MFCD00135989 | [Molecular Weight]
127.1 | [MOL File]
4928-88-5.mol |
| Chemical Properties | Back Directory | [Melting point ]
196-199 °C(lit.)
| [Boiling point ]
283.9±23.0 °C(Predicted) | [density ]
1.380±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
Liquid | [pka]
7.96±0.20(Predicted) | [color ]
Clear colorless to yellow | [InChI]
InChI=1S/C4H5N3O2/c1-9-4(8)3-5-2-6-7-3/h2H,1H3,(H,5,6,7) | [InChIKey]
QMPFMODFBNEYJH-UHFFFAOYSA-N | [SMILES]
N1C(C(OC)=O)=NC=N1 | [CAS DataBase Reference]
4928-88-5(CAS DataBase Reference) |
| Questions And Answer | Back Directory | [Uses]
Methyl 1,2,4-Triazole-3-carboxylate has been used as a reactant for the preparation of Ribavirin (1-β-D-ribofuranosyl)-1,2,4-triazole-3-carboxamide, an antiviral agent. |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P264-P271-P280-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [REACH Registrations]
Active | [HS Code ]
29339900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
White solid | [Application]
Methyl 1,2,4-triazole-3-carboxylate is an essential raw material for the synthesis of antiviral drug ribavirin, and ribavirin is a broad-spectrum antiviral drug that is effective against a variety of viruses Has an inhibitory effect. Ribavirin is widely used and the market demand is huge, so the demand for methyl 1,2,4-triazole-3-carboxylate is also huge. | [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. | [Synthesis]
The product Methyl 1,2,4-triazole-3-carboxylate is synthesized using lime nitrogen as the raw material, and hydrazinolysis, condensation, esterification, deamination and other steps are performed to obtain the product Methyl 1,2,4-triazole-3-carboxylate. The synthesis route using lime nitrogen as the starting material: lime nitrogen first reacts with hydrazine hydrate to obtain a nitrile addition product, and then condenses with oxalic acid to obtain 1,2,4-triazole-3-carboxylic acid methyl ester-5-amino. The deamination process generally requires diazotization and then nitrogen release in an alcohol solution to obtain the product Methyl 1,2,4-triazole-3-carboxylate in which the amino group is replaced by hydrogen.
Synthesis of ethyl cyanoformate: Using ethyl cyanoformate as the raw material, it is subjected to addition with formic acid hydrazide and then cyclization to obtain ethyl 1,2,4-triazole-3-carboxylate, and then alcoholysis with methanol to obtain methyl 1,2,4-triazole-3-carboxylate. Ethyl cyanoformate is used as a raw material and reacted with ethanol to obtain ethoxyamidine hydrochloride, which is then reacted with formic hydrazide for addition reaction, and then cyclized under high temperature conditions to obtain 1,2,4-triazole-3-carboxylic acid ethyl ester, and then ester exchange with methanol is carried out to obtain the final product. |
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