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

Bezeichnung:Methyl 1,2,4-triazole-3-carboxylate

CAS-Nr4928-88-5

Englisch Name:Methyl 1,2,4-triazole-3-carboxylate

CBNumberCB6779786

SummenformelC4H5N3O2

Molgewicht127.1

MOL-Datei4928-88-5.mol

Methyl 1,2,4-triazole-3-carboxylate physikalisch-chemischer Eigenschaften

Schmelzpunkt	196-199 °C(lit.)
Siedepunkt	283.9±23.0 °C(Predicted)
Dichte	1.380±0.06 g/cm3(Predicted)
storage temp.	Sealed in dry,Room Temperature
Löslichkeit	DMSO (Slightly), Methanol (Slightly)
Aggregatzustand	Liquid
pka	7.96±0.20(Predicted)
Farbe	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 Datenbank	4928-88-5(CAS DataBase Reference)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38
S-Sätze:	26-36-37
WGK Germany	3
HS Code	29339900

Gefahreninformationscode (GHS)

Methyl 1,2,4-triazole-3-carboxylate Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
Chemische Eigenschaften
White solid
Verwenden
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
Verwenden
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.
Allgemeine Beschreibung
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.
Synthese
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.

Methyl 1,2,4-triazole-3-carboxylate Upstream-Materialien And Downstream Produkte

Methyl 1,2,4-triazole-3-carboxylate Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

4928-88-5, Methyl 1,2,4-triazole-3-carboxylate Verwandte Suche:

Send Inquriy