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

Base Information Edit

Chemical Name:methyl 1H-1,2,4-triazole-3-carboxylate
CAS No.:4928-88-5
Molecular Formula:C4H5N3O2
Molecular Weight:127.103
Hs Code.:2942000000
European Community (EC) Number:480-470-5,610-451-0
DSSTox Substance ID:DTXSID10370605
Nikkaji Number:J39.082H
Wikidata:Q72491777
Mol file:4928-88-5.mol

Synonyms:4928-88-5;methyl 1H-1,2,4-triazole-3-carboxylate;Methyl 1,2,4-triazole-3-carboxylate;methyl 1H-1,2,4-triazole-5-carboxylate;1H-1,2,4-Triazole-3-carboxylic acid methyl ester;methyl 4H-1,2,4-triazole-3-carboxylate;1H-1,2,4-Triazole-3-carboxylic acid, methyl ester;1,2,4-Triazole-3-Carboxylic Acid Methylester;Methyl-1H-1,2,4-triazole-3-carboxylate;MFCD00135989;1H-1,2,4-triazole-5-carboxylic acid methyl ester;Methyl1,2,4-triazole-3-carboxylate;1,2,4-triazole-3-carboxylic acid methyl ester;SCHEMBL538234;5-carbomethoxy-1,2,4-triazole;DTXSID10370605;QMPFMODFBNEYJH-UHFFFAOYSA-N;3-methoxycarbonyl-1,2,4-triazole;STK352887;AKOS005442001;AKOS009143218;AM87007;CCG-321689;CS-W007685;methyl1H-1,2,4-triazole-3-carboxylate;AC-11651;AS-10771;BP-20318;SY015262;FT-0606246;M2368;2,6-DIFLUORO-3-METHYLPHENYLACETICACID;EN300-53054;F14150;[1,2,4]triazole-3-carboxylic acid methyl ester;Methyl-1H-1,2,4-triazole-3-carboxylate, 98%;A827695;A851751;1H-[1,2,4]triazole-3-carboxylic acid methyl ester;2227213-13-8

Suppliers and Price of methyl 1H-1,2,4-triazole-3-carboxylate

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Methyl 1,2,4-Triazole-3-carboxylate
100 g
$ 200.00

TCI Chemical
Methyl 1,2,4-Triazole-3-carboxylate >98.0%(HPLC)(T)
25g
$ 74.00

TCI Chemical
Methyl 1,2,4-Triazole-3-carboxylate >98.0%(HPLC)(T)
5g
$ 26.00

SynQuest Laboratories
Methyl 4H-1,2,4-triazole-3-carboxylate
25 g
$ 208.00

Sigma-Aldrich
Methyl-1H-1,2,4-triazole-3-carboxylate 98%
25g
$ 133.00

Matrix Scientific
Methyl 1H-1,2,4-triazole-3-carboxylate 98%
100g
$ 109.00

Matrix Scientific
Methyl 1H-1,2,4-triazole-3-carboxylate 98%
10g
$ 17.00

Matrix Scientific
Methyl 1H-1,2,4-triazole-3-carboxylate 98%
25g
$ 34.00

Frontier Specialty Chemicals
Methyl-1H-1,2,4-triazole-3-carboxylate 98%
5g
$ 48.00

Frontier Specialty Chemicals
Methyl-1H-1,2,4-triazole-3-carboxylate 98%
1g
$ 16.00

Total 146 raw suppliers

Chemical Property of methyl 1H-1,2,4-triazole-3-carboxylate Edit

Chemical Property:

Appearance/Colour:white crystalline powder
Vapor Pressure:0.00307mmHg at 25°C
Melting Point:196-199 °C(lit.)
Refractive Index:1.534
Boiling Point:283.9 °C at 760 mmHg
PKA:7.96±0.20(Predicted)
Flash Point:125.5 °C
PSA：67.87000
Density:1.38 g/cm³
LogP:-0.40870
Storage Temp.:Sealed in dry,Room Temperature
Solubility.:DMSO (Slightly), Methanol (Slightly)
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:127.038176411
Heavy Atom Count:9
Complexity:116

Purity/Quality:

98% ^*data from raw suppliers

Methyl 1,2,4-Triazole-3-carboxylate ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36-37

MSDS Files:: Total 1 MSDS from other Authors

Useful:

Canonical SMILES:COC(=O)C1=NC=NN1
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. 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-D-altrohexopyranoside1,5-anhydro-4,6-O-benzylidene-2-(methyl 1H-1,2,4-triazol-1-yl-3-carboxylate)-2-deoxy-D-altro-hexitol

Technology Process of methyl 1H-1,2,4-triazole-3-carboxylate

There total 6 articles about methyl 1H-1,2,4-triazole-3-carboxylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

: 67-56-1
methanol

: 4928-87-4
1,2,4-triazole-3-carboxylic acid

: 4928-88-5
methyl 1H-1,2,4-triazole-3-carboxylate

Guidance literature:: With thionyl chloride; at 0 - 65 ℃; for 3h;
DOI:10.1021/acs.jmedchem.9b00686

Reference yield: 91.2%

: 67-56-1
methanol

: 124-41-4
sodium methylate

: C₃H₂Cl₃N₃

: 4928-88-5
methyl 1H-1,2,4-triazole-3-carboxylate

Guidance literature:: at 50 ℃; for 3h;

Reference yield: 75.0%

: 3641-14-3
5-amino-1H-[1,2,4]-triazole-3-carboxylic acid methyl ester

: 4928-88-5
methyl 1H-1,2,4-triazole-3-carboxylate

Guidance literature:: With sodium hypophosphite; phosphoric acid; sodium nitrite; In water; at 0 - 20 ℃; for 1h; Reagent/catalyst; Temperature;