1H-Tetrazole-1-acetic acid, ethyl ester

Base Information

• Chemical Name: 1H-Tetrazole-1-acetic acid, ethyl ester
• CAS No.: 26240-90-4
• Molecular Formula: C5H8N4O2
• European Community (EC) Number: 607-892-6
• DSSTox Substance ID: DTXSID40559986
• Nikkaji Number: J33.266F
• Wikidata: Q82442914
• Mol file: 26240-90-4.mol

Synonyms:26240-90-4;1H-Tetrazole-1-acetic acid, ethyl ester;ethyl 2-(tetrazol-1-yl)acetate;Ethyl (1H-tetrazol-1-yl)acetate;ethyl 2-(1H-1,2,3,4-tetrazol-1-yl)acetate;ethyl 2-(1H-tetrazol-1-yl)acetate;1H-Tetrazole-1-acetic acid ethyl ester;SCHEMBL10633527;DTXSID40559986;BBA24090;AKOS005264698;EN300-7045153;ethyl 2-(1H-1,2,3,4-tetraazol-1-yl)acetate;Z54933170

Chemical Property of 1H-Tetrazole-1-acetic acid, ethyl ester

Chemical Property:

• Vapor Pressure: 0.006mmHg at 25°C
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 156.06472551
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CN1C=NN=N1

Technology Process of 1H-Tetrazole-1-acetic acid, ethyl ester

There total 5 articles about 1H-Tetrazole-1-acetic acid, ethyl ester 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: 95.0%

glycine ethyl ester hydrochloride (623-33-6) + orthoformic acid triethyl ester (122-51-0) → ethyl 2-(1H-tetrazol-1-yl)acetate (26240-90-4)

Guidance literature:

With sodium azide; zinc(II) oxide; In water; acetonitrile; for 0.5h; Sonication;

DOI:10.1002/aoc.5758

Reference yield: 94.0%

ethyl N-formylglycinate (3154-51-6) → ethyl 2-(1H-tetrazol-1-yl)acetate (26240-90-4)

Guidance literature:

With diphenyl phosphoryl azide; In pyridine; at 90 ℃; for 16h; Inert atmosphere;

DOI:10.1016/j.tet.2022.132642

Reference yield: 84.0%

1H-tetrazol-1-ylacetic acid (21732-17-2) + ethanol (64-17-5) → ethyl 2-(1H-tetrazol-1-yl)acetate (26240-90-4)

Guidance literature:

With sulfuric acid;

DOI:10.1007/BF00512974

upstream raw materials:

1H-tetrazol-1-ylacetic acid

ethanol

glycine ethyl ester hydrochloride

orthoformic acid triethyl ester

Downstream raw materials:

tetrazol-1-ylacetic acid hydrazide