Ethyl 5-methyl-1H-1,2,3-triazole-4-carboxylate

Base Information

• Chemical Name: Ethyl 5-methyl-1H-1,2,3-triazole-4-carboxylate
• CAS No.: 4343-73-1
• Molecular Formula: C6H9 N3 O2
• Molecular Weight: 155.156
• Hs Code.: 2933990090
• European Community (EC) Number: 224-401-7
• DSSTox Substance ID: DTXSID10195850
• Nikkaji Number: J205.721B
• ChEMBL ID: CHEMBL2071024
• Mol file: 4343-73-1.mol

Synonyms:Ethyl 5-methyl-1H-1,2,3-triazole-4-carboxylate;4343-73-1;ethyl 5-methyl-2H-triazole-4-carboxylate;CHEMBL2071024;Ethyl 4-methyl-1H-1,2,3-triazole-5-carboxylate;EINECS 224-401-7;507473-06-5;1H-1,2,3-Triazole-4-carboxylic acid, 5-methyl-, ethyl ester;ethyl 5-methyl-2H-1,2,3-triazole-4-carboxylate;SCHEMBL841773;SCHEMBL9272935;SCHEMBL23025720;DTXSID10195850;BDBM50390970;AKOS006371671;AKOS016036549;EN300-173461;Ethyl4-methyl-1H-1,2,3-triazole-5-carboxylate;Z2037296673;1H-1,2,3-Triazole-5-carboxylicacid,4-methyl-,ethyl ester;5-Methyl-1H-1,2,3-triazole-4-carboxylic acid ethyl ester;5-methyl-2H-[1,2,3]-triazole-4-carboxylic acid ethyl ester;5-methyl-2H-[1,2,3]triazole-4-carboxylic acid ethyl ester

Chemical Property of Ethyl 5-methyl-1H-1,2,3-triazole-4-carboxylate

Chemical Property:

• Vapor Pressure: 0.00253mmHg at 25°C
• Boiling Point: 287.1°Cat760mmHg
• Flash Point: 127.5°C
• PSA: 67.87000
• Density: 1.242g/cm³
• LogP: 0.28980
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 155.069476538
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

ethyl5-methyl-1H-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: CCOC(=O)C1=NNN=C1C

Technology Process of Ethyl 5-methyl-1H-1,2,3-triazole-4-carboxylate

There total 11 articles about Ethyl 5-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: 80.0%

ethanol (64-17-5) + 5-methyl-2H-1,2,3-triazole-4-carboxylic acid (832737-27-6) → ethyl 5-methyl-2H-1,2,3-triazole-4-carboxylate (507473-06-5,4343-73-1)

Guidance literature:

With thionyl chloride; at 80 ℃; for 18h;

Reference yield: 79.0%

ethyl 1-((2,4-dinitrophenyl)amino)-5-methyl-1H-1,2,3-triazole-4-carboxylate → ethyl 5-methyl-1H-1,2,3-triazole-4-carboxylate (4343-73-1)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; at 20 ℃;

DOI:10.14233/ajchem.2019.21857

Reference yield: 35.7%

Ethyl 2-butynoate (4341-76-8) → ethyl 5-methyl-2H-1,2,3-triazole-4-carboxylate (507473-06-5,4343-73-1)

Guidance literature:

With copper(l) iodide; trimethylsilylazide; In methanol; N,N-dimethyl-formamide; at 95 ℃; for 12h;

upstream raw materials:

ethanol

ethyl 2-diazo-3-oxobutanoate

ammonium acetate

ethyl acetoacetate

Refernces

• 1、 Nagarajan,Emmanuvel. "Unusual cleavage of n-n bond of 1-arylamino-1,2,3-triazole derivatives: A simple and alternate approach to 4,5-disubstituted-1H-1,2,3-triazoles". . p. 1057 - 1061. Retrieved 2019/04/05.
• 2、 -. "SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS". Page/Page column 127. . Retrieved 2018/06/06.