ETHYL 2-(2H-1,2,3,4-TETRAAZOL-5-YL)ACETATE

Base Information

• Chemical Name: ETHYL 2-(2H-1,2,3,4-TETRAAZOL-5-YL)ACETATE
• CAS No.: 13616-37-0
• Molecular Formula: C5H8N4O2
• Molecular Weight: 156.144
• Hs Code.: 2933990090
• Mol file: 13616-37-0.mol

Synonyms:Tetrazole-5-acetic acid, ethyl ester (6CI);(1H-Tetrazol-5-yl)acetic acid ethyl ester;(2H-Tetrazol-5-yl)acetic acid ethylester;Ethyl 5-tetrazolylacetate;Ethyltetrazole-5-acetate;Ethyl 2-(1H-tetrazol-5-yl)acetate;1H-Tetrazole-5-aceticacid, ethyl ester (8CI,9CI);

Chemical Property of ETHYL 2-(2H-1,2,3,4-TETRAAZOL-5-YL)ACETATE

Chemical Property:

• Vapor Pressure: 0.000535mmHg at 25°C
• Melting Point: 123-127 °C(lit.)
• Refractive Index: 1.521
• Boiling Point: 312.269 °C at 760 mmHg
• PKA: 4.31±0.10(Predicted)
• Flash Point: 142.656 °C
• PSA: 80.76000
• Density: 1.338 g/cm³
• LogP: -0.69470
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: soluble in Methanol

Purity/Quality:

99% ^*data from raw suppliers

Ethyl2-(2H-Tetrazol-5-yl)acetate ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Ethyl 1H-tetrazole-5-acetate (Ethyl 1H-tetrazole-5-yl acetate, Hetza) may be employed as starting reagent for the synthesis of ethyl aryloxadiazolylacetates. It may be used for the preparation of homochiral 3D diamondoid metal-organic framework [Zn2(etza)4].

Technology Process of ETHYL 2-(2H-1,2,3,4-TETRAAZOL-5-YL)ACETATE

There total 6 articles about ETHYL 2-(2H-1,2,3,4-TETRAAZOL-5-YL)ACETATE 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: 96.0%

ethyl 2-cyanoacetate (105-56-6) → ethyl (tetrazol-5-yl)acetate (13616-37-0)

Guidance literature:

With sodium azide; at 120 ℃; for 1.08333h;

DOI:10.1039/d0nj04990e

Reference yield: 85.0%

ethyl 2-cyanoacetate (105-56-6) → ethyl 2-(2H-1,2,3,4-tetraazol-5-yl)acetate (13616-37-0)

Guidance literature:

With sodium azide; zinc dibromide; In water; for 0.2h; Reagent/catalyst; Microwave irradiation; Green chemistry;

DOI:10.1016/j.tet.2013.11.069

Reference yield: 69.0%

1,4-dioxane (123-91-1,28347-88-8,28347-91-3,39449-24-6,54841-74-6) + α-tributyltin azide + ethyl 2-cyanoacetate (105-56-6) → ethyl (tetrazol-5-yl)acetate (13616-37-0)

Guidance literature:

In diethyl ether;

upstream raw materials:

ethyl 2-cyanoacetate

1,4-dioxane

Downstream raw materials:

(2-Benzyloxymethyl-2H-tetrazol-5-yl)-acetic acid ethyl ester

(1-Benzyloxymethyl-1H-tetrazol-5-yl)-acetic acid ethyl ester

ethyl (2-benzyl-2H-tetrazol-5-yl)acetate

ethyl (1-benzyl-1H-tetrazol-5-yl)acetate