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

Base Information

• Chemical Name: Methyl 2-methyl-2H-1,2,3-triazole-4-carboxylate
• CAS No.: 105020-39-1
• Molecular Formula: C₅H₇N₃O₂
• Molecular Weight: 141.129
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10547678
• Wikidata: Q82426038
• Mol file: 105020-39-1.mol

Synonyms:105020-39-1;Methyl 2-methyl-2H-1,2,3-triazole-4-carboxylate;METHYL 2-METHYL-1,2,3-TRIAZOLE-4-CARBOXYLATE;methyl 2-methyltriazole-4-carboxylate;2H-1,2,3-Triazole-4-carboxylicacid,2-methyl-,methylester(9CI);MFCD16495898;2H-1,2,3-Triazole-4-carboxylic acid, 2-methyl-, methyl ester;Methyl2-Methyl-1,2,3-triazole-4-carboxylate;SCHEMBL864815;DTXSID10547678;DHEGGJDFEGULIC-UHFFFAOYSA-N;AKOS016000180;AS-31763;SY008375;CS-0129792;2-methyl 2H-1,2,3-triazole-4-carboxylic acid methyl ester;Methyl 2-Methyl-1 pound not2 pound not3-triazole-4-carboxylate

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

Chemical Property:

• Refractive Index: 1.57
• PSA: 57.01000
• LogP: -0.39830
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• 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

Methyl2-Methyl-1,2,3-triazole-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1N=CC(=N1)C(=O)OC

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

There total 13 articles about Methyl 2-methyl-2H-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: 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-3-pyrazolcarbonsaeure-methylester (105020-37-9) + 4-Cyan-1-methyl-5-pyrazolcarbonsaeure-methylester (70910-18-8)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 26h; Further byproducts given;

DOI:10.3987/R-1986-09-2429

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

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) → 2-Methyl-1,2,3-triazol-4-carbonsaeure-methylester (105020-39-1) + 4-Cyan-1-methyl-3-pyrazolcarbonsaeure-methylester (105020-37-9) + 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