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

Base Information

• Chemical Name: Methyl 1-methyl-1H-1,2,3-triazole-4-carboxylate
• CAS No.: 57362-82-0
• Molecular Formula: C5H7N3O2
• Molecular Weight: 141.13
• Hs Code.: 2933990090
• European Community (EC) Number: 825-332-0
• DSSTox Substance ID: DTXSID20504530
• Wikidata: Q82359093
• Mol file: 57362-82-0.mol

Synonyms:57362-82-0;Methyl 1-methyl-1H-1,2,3-triazole-4-carboxylate;METHYL 1-METHYL-1,2,3-TRIAZOLE-4-CARBOXYLATE;methyl 1-methyltriazole-4-carboxylate;MFCD16495897;1H-1,2,3-Triazole-4-carboxylic acid, 1-methyl-, methyl ester;Methyl1-Methyl-1,2,3-triazole-4-carboxylate;SCHEMBL1259724;DTXSID20504530;AKOS016003690;CS-11189;SY008374;CS-0127688;FT-0754103;EN300-215115;A869698;methyl-1-methyl-1h-1,2,3-triazole-4-carboxylate;F2157-0636;Z1255440920;Methyl 1-Methyl-1 pound not2 pound not3-triazole-4-carboxylate;1H-1,2,3-Triazole-4-carboxylicacid,1-methyl-,methylester(9CI)

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

Chemical Property:

• Vapor Pressure: 0.028mmHg at 25°C
• Refractive Index: 1.57
• Boiling Point: 246.089°C at 760 mmHg
• Flash Point: 102.632°C
• PSA: 57.01000
• Density: 1.324g/cm³
• LogP: -0.39830
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 141.053826475
• Heavy Atom Count: 10
• Complexity: 139

Purity/Quality:

97% ^*data from raw suppliers

Methyl1-methyl-1H-1,2,3-triazole-4-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C(N=N1)C(=O)OC

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

There total 16 articles about Methyl 1-methyl-1H-1,2,3-triazole-4-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%

methyl azide (624-90-8) + propynoic acid methyl ester (922-67-8) → 1-Methyl-1,2,3-triazol-4-carbonsaeure-methylester (57362-82-0)

Guidance literature:

With copper(l) iodide; triethylamine; In tetrahydrofuran; for 12h; regioselective reaction;

DOI:10.1134/S1070428019090082

Reference yield: 94.0%

methyl 1,2,3-triazole-4-carboxylate (4967-77-5) + methyl iodide (74-88-4) → 1-Methyl-1,2,3-triazol-4-carbonsaeure-methylester (57362-82-0)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; at 120 ℃; regioselective reaction;

DOI:10.1007/s11164-011-0446-0

Reference yield: 78.0%

diazomethane (24153-51-3,175791-16-9,353495-36-0,6843-83-0) + trans-4,5-Dicyan-4,5-dihydro-1H-pyrazol-4,5-dicarbonsaeure-dimethylester (105020-40-4) → methyl 1-methyl-1H-1,2,3-triazole-5-carboxylate (105020-38-0) + 2-Methyl-1,2,3-triazol-4-carbonsaeure-methylester (105020-39-1) + 4-Cyan-1-methyl-5-pyrazolcarbonsaeure-methylester (70910-18-8) + 1-Methyl-1,2,3-triazol-4-carbonsaeure-methylester (57362-82-0)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 26h;

DOI:10.3987/R-1986-09-2429

upstream raw materials:

diazomethane

methyl cyanoformate

dimethyl 2,3-dicyanofumarate

diazomethane