5-Biphenyl-4-yl-2H-tetrazole

Base Information

• Chemical Name: 5-Biphenyl-4-yl-2H-tetrazole
• CAS No.: 62778-17-0
• Molecular Formula: C13H10N4
• Molecular Weight: 222.25
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00886508
• Nikkaji Number: J429.486F
• Wikidata: Q82865356
• Mol file: 62778-17-0.mol

Synonyms:5-Biphenyl-4-yl-2H-tetrazole;62778-17-0;5-(4-phenylphenyl)-2H-tetrazole;1H-Tetrazole, 5-(1,1'-biphenyl)-4-yl-;1H-Tetrazole, 5-[1,1'-biphenyl]-4-yl-;2H-Tetrazole, 5-(1,1'-biphenyl)-4-yl-;2H-Tetrazole, 5-[1,1'-biphenyl]-4-yl-;SCHEMBL6505461;5-(4-Biphenylyl)-1H-tetrazole;DTXSID00886508;5-(biphenyl-4-yl)-2H-tetrazole;AKOS015969337

Chemical Property of 5-Biphenyl-4-yl-2H-tetrazole

Chemical Property:

• Vapor Pressure: 8.87E-08mmHg at 25°C
• Refractive Index: 1.64
• Boiling Point: 435.3 °C at 760 mmHg
• Flash Point: 205.2 °C
• PSA: 54.46000
• Density: 1.248 g/cm³
• LogP: 2.53370
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 222.090546336
• Heavy Atom Count: 17
• Complexity: 232

Purity/Quality:

98%Min ^*data from raw suppliers

5-BIPHENYL-4-YL-2H-TETRAZOLE 99.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NNN=N3

Technology Process of 5-Biphenyl-4-yl-2H-tetrazole

There total 1 articles about 5-Biphenyl-4-yl-2H-tetrazole 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:

→ 5-([1,1′-biphenyl]-4-yl)-2H-tetrazole (62778-17-0)

Guidance literature:

4-Biphenylcarbonitril,LiCl/NaN3,2-Methoxyethanol;

Reference yield: 66.0%

tert.-butylhydroperoxide (75-91-2) + 5-([1,1′-biphenyl]-4-yl)-2H-tetrazole (62778-17-0) → 2-methyl-5-(p-biphenyl)tetrazole

Guidance literature:

With tetra-(n-butyl)ammonium iodide; In water; acetonitrile; at 100 ℃; for 8h; regioselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.joc.9b02875

Reference yield:

5-([1,1′-biphenyl]-4-yl)-2H-tetrazole (62778-17-0) + bromopropionitrile (2417-90-5) → 3-(5-Biphenyl-4-yl-tetrazol-2-yl)-propionitrile

Guidance literature:

With potassium hydroxide; Yield given. Multistep reaction; 1.) 1-propanol, 80 deg C, 1 h, 2.) 1-propanol, reflux, 1 d;

DOI:10.1021/jm00024a006

Downstream raw materials:

2-biphenyl-4-yl-5-tert-butyl-[1,3,4]oxadiazole

2-(4-biphenyl)-5-methyl-1,3,4-oxadiazole

2-biphenyl-4-yl-5-isopropyl-[1,3,4]oxadiazole

2-(biphenyl-4-yl)-5-ethyl-1,3,4-oxadiazole