Ethyl 1H-1,2,4-triazol-1-ylacetate

Base Information

• Chemical Name: Ethyl 1H-1,2,4-triazol-1-ylacetate
• CAS No.: 56563-01-0
• Molecular Formula: C6H9N3O2
• Molecular Weight: 155.156
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID801299343
• Nikkaji Number: J610.324C
• Mol file: 56563-01-0.mol

Synonyms:56563-01-0;ethyl 2-(1H-1,2,4-triazol-1-yl)acetate;Ethyl 1H-1,2,4-triazol-1-ylacetate;ethyl 2-(1,2,4-triazol-1-yl)acetate;SCHEMBL2362473;DTXSID801299343;MFCD00215199;AKOS002669482;Ethyl 1H-1,2,4-triazole-1-acetate;AC-11864;Ethyl (1H)-1,2,4-triazole-1-acetate;Ethyl 1H-1,2,4-triazol-1-ylacetate #;CS-0331758;1H-1,2,4-triazol-1-acetic acid ethyl ester;[1,2,4]-triazol-1-ylacetic acid ethyl ester;1H-1,2,4-Triazole-1-acetic acid ethyl ester;10E-014;J-504637

Chemical Property of Ethyl 1H-1,2,4-triazol-1-ylacetate

Chemical Property:

• Vapor Pressure: 0.0045mmHg at 25°C
• Refractive Index: 1.556
• Boiling Point: 277.5 °C at 760 mmHg
• PKA: 2.29±0.10(Predicted)
• Flash Point: 121.7 °C
• PSA: 57.01000
• Density: 1.25g/cm³
• LogP: -0.15880
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 155.069476538
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

95% ^*data from raw suppliers

Ethyl 1H-1,2,4-triazol-1-ylacetate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 1H-1,2,4-triazol-1-ylacetate

There total 8 articles about Ethyl 1H-1,2,4-triazol-1-ylacetate 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: 84.0%

1,2,4-Triazole (288-88-0) + chloroacetic acid ethyl ester (105-39-5) → ethyl 2-(1H-1,2,4-triazol-1-yl)acetate (56563-01-0)

Guidance literature:

With potassium carbonate; In 1,4-dioxane; for 6h; Heating;

Reference yield: 69.0%

1,2,4-Triazole (288-88-0) + chloroacetic acid ethyl ester (105-39-5) → ethyl 2-(1H-1,2,4-triazol-1-yl)acetate (56563-01-0) + ethyl 4H-1,2,4-triazol-4-yl-acetate

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1016/S0040-4039(99)02272-8

Reference yield: 65.0%

1,2,4-Triazole (288-88-0) + ethyl bromoacetate (105-36-2) → ethyl 2-(1H-1,2,4-triazol-1-yl)acetate (56563-01-0)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

upstream raw materials:

1,2,4-Triazole

ethyl bromoacetate

chloroacetic acid ethyl ester

α-bromoacetophenone

Downstream raw materials:

1-(2-hydroxyethyl)-1H-1,2,4-triazole

2-(1H-1,2,4-triazol-1-yl)acetic acid

2-[1,2,4]triazol-1-yl-acetamide

(1-N-carbethoxymethylene-4-N-p-nitrophenacyl)-1,2,4-triazolium bromide