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

Base Information

• Chemical Name: ETHYL 2-(5-PHENYL-2H-1,2,3,4-TETRAAZOL-2-YL)ACETATE
• CAS No.: 21054-65-9
• Molecular Formula: C11H12 N4 O2
• Molecular Weight: 232.242
• Hs Code.: 2933990090
• Mol file: 21054-65-9.mol

Synonyms:Ethyl5-phenyl-2-tetrazoleacetate; Ethyl 5-phenyl-2-tetrazolylacetate

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

Chemical Property:

• Vapor Pressure: 2.01E-06mmHg at 25°C
• Melting Point: 83-85°C
• Boiling Point: 394.2°C at 760 mmHg
• Flash Point: 192.2°C
• PSA: 69.90000
• Density: 1.28g/cm³
• LogP: 0.90320

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl 2-(5-phenyl-2H-1,2,3,4-tetraazol-2-yl)-acetate >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

There total 6 articles about ETHYL 2-(5-PHENYL-2H-1,2,3,4-TETRAAZOL-2-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: 62.5%

5-Phenyl-1H-tetrazole (18039-42-4,3999-10-8) + chloroacetic acid ethyl ester (105-39-5) → 5-phenyl-2-tetrazolylacetic acid ethyl ester (21054-65-9)

Guidance literature:

With potassium carbonate; In acetone;

DOI:10.1002/jhet.3542

Reference yield: 62.0%

ethyl bromoacetate (105-36-2) + 5-phenyl-2H-1,2,3,4-tetrazole (18039-42-4) → 5-phenyl-2-tetrazolylacetic acid ethyl ester (21054-65-9)

Guidance literature:

With sodium ethanolate; In ethanol; for 12h; Reflux;

DOI:10.1016/j.bmcl.2019.01.027

Reference yield:

benzonitrile (100-47-0) → 5-phenyl-2-tetrazolylacetic acid ethyl ester (21054-65-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / NaN₃, NH₄Cl / dimethylformamide / 17 h / Heating

2: 1.) EtONa / 1.) EtOH, reflux, 2.) EtOH, reflux, 16 h

With sodium azide; sodium ethanolate; ammonium chloride; In N,N-dimethyl-formamide;

DOI:10.1021/jm00378a007

upstream raw materials:

potassium salt of 5-phenyltetrazole

ethyl bromoacetate

5-phenyl-2H-1,2,3,4-tetrazole

benzonitrile

Downstream raw materials:

2-carboethoxymethyl-5-phenyltetrazole-3-oxide

1-(5-phenyl-2H-tetrazol-2-ylacetyl)-4-(2-ethoxyphenyl)thiosemicarbazide

1-(5-phenyl-2H-tetrazol-2-ylacetyl)-4-(3,4-dimethylphenyl)thiosemicarbazide

1-(5-phenyl-2H-tetrazol-2-ylacetyl)-4-(4-chlorophenyl)thiosemicarbazide