5-(2-FLUOROPHENYL)-1H-1,2,3,4-TETRAAZOLE

Base Information

• Chemical Name: 5-(2-FLUOROPHENYL)-1H-1,2,3,4-TETRAAZOLE
• CAS No.: 50907-19-2
• Molecular Formula: C7H5FN4
• Molecular Weight: 164.142
• Hs Code.: 2933998090
• Mol file: 50907-19-2.mol

Synonyms:

Chemical Property of 5-(2-FLUOROPHENYL)-1H-1,2,3,4-TETRAAZOLE

Chemical Property:

• Vapor Pressure: 0.000152mmHg at 25°C
• Melting Point: 157-159oC
• Boiling Point: 331.8oC at 760 mmHg
• PKA: 3.70±0.10(Predicted)
• Flash Point: 154.5oC
• PSA: 54.46000
• Density: 1.403g/cm3
• LogP: 1.00580

Purity/Quality:

97% ^*data from raw suppliers

5-(2-Fluorophenyl)-1H-tetrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 5-(2-Fluorophenyl)-1H-tetrazole is used in the synthetic preparation of novel tetrazole derivatives as positive allosteric modulators of metabotropic glutamate receptors useful in treatment and prevention of CNS diseases and diseases-modulated by mGluR5 receptors.

Technology Process of 5-(2-FLUOROPHENYL)-1H-1,2,3,4-TETRAAZOLE

There total 6 articles about 5-(2-FLUOROPHENYL)-1H-1,2,3,4-TETRAAZOLE 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%

2-fluorobenzonitrile (394-47-8) → 5-(2-fluorophenyl)-1H-tetrazole (50907-19-2)

Guidance literature:

With diethylaluminium azide; In toluene; at 90 ℃; for 7h;

DOI:10.1002/anie.200701045

Reference yield: 93.0%

2-fluorobenzonitrile (394-47-8) → 5‐(2‐fluorophenyl)‐2H‐1,2,3,4‐tetrazole (50907-19-2)

Guidance literature:

With sodium azide; triethylamine hydrochloride; In toluene; at 20 - 100 ℃;

DOI:10.1080/00304940409355372

Reference yield: 45.0%

2-fluorobenzaldehyde oxime (24652-66-2,451-79-6) → 5-(2-fluorophenyl)-1H-tetrazole (50907-19-2)

Guidance literature:

With indium(III) chloride; sodium azide; In N,N-dimethyl-formamide; at 120 ℃; for 28h;

DOI:10.1055/s-0035-1561559

upstream raw materials:

2-fluorobenzonitrile

2-fluorobenzaldehyde oxime

Downstream raw materials:

2-(tetrazol-5-yl)-4'-methyl-1,1'-biphenyl

C₁₁H₁₁FN₄O₂