2-tert-butyl-5-phenyl-2H-tetrazole

Base Information

• Chemical Name: 2-tert-butyl-5-phenyl-2H-tetrazole
• CAS No.: 59772-96-2
• Molecular Formula: C11H14N4
• Molecular Weight: 202.259
• DSSTox Substance ID: DTXSID00350037
• Nikkaji Number: J3.237.556A
• Wikidata: Q82125740
• Mol file: 59772-96-2.mol

Synonyms:2-tert-butyl-5-phenyl-2H-tetrazole;59772-96-2;2-tert-butyl-5-phenyltetrazole;2-(tert-butyl)-5-phenyl-2H-tetrazole;ST047279;TimTec1_003470;2-t-butyl-5-phenyltetrazole;SCHEMBL4415031;DTXSID00350037;BSZQFTLIMOHPIL-UHFFFAOYSA-N;HMS1543N16;STK524074;AKOS024281645;2-(1,1-dimethylethyl)-5-phenyl-2H-tetrazole;SR-01000520654;SR-01000520654-1;InChI=1/C11H14N4/c1-11(2,3)15-13-10(12-14-15)9-7-5-4-6-8-9/h4-8H,1-3H

Chemical Property of 2-tert-butyl-5-phenyl-2H-tetrazole

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 202.121846464
• Heavy Atom Count: 15
• Complexity: 205

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)N1N=C(N=N1)C2=CC=CC=C2

Technology Process of 2-tert-butyl-5-phenyl-2H-tetrazole

There total 7 articles about 2-tert-butyl-5-phenyl-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: 100.0%

5-Phenyl-1H-tetrazole (18039-42-4,3999-10-8) + tert-butyl alcohol (75-65-0) → 2-(tert-butyl)-5-phenyl-2H-tetrazole (59772-96-2)

Guidance literature:

With sulfuric acid; for 0.5h;

DOI:10.1007/BF00473965

Reference yield: 98.0%

5-phenyl-2H-1,2,3,4-tetrazole (18039-42-4) + tert-butyl alcohol (75-65-0) → 2-(tert-butyl)-5-phenyl-2H-tetrazole (59772-96-2)

Guidance literature:

With trifluorormethanesulfonic acid; at 20 ℃; for 2h;

DOI:10.1016/j.tetlet.2015.11.005

Reference yield: 98.0%

1-H-3-tret-butyl-5-phenyltetrazolium perchlorate → 2-(tert-butyl)-5-phenyl-2H-tetrazole (59772-96-2)

Guidance literature:

In water; acetone; at 50 ℃; for 0.5h;

upstream raw materials:

5-Phenyl-1H-tetrazole

tert-butyl alcohol

sulfuric acid

1,3-DIOXOLANE

Downstream raw materials:

C₁₇H₁₄Br₂N₄O₆Re₂*CH₂Cl₂