2H-Tetrazole, 2-(4-methoxyphenyl)-5-phenyl-

Base Information

• Chemical Name: 2H-Tetrazole, 2-(4-methoxyphenyl)-5-phenyl-
• CAS No.: 60636-95-5
• Molecular Formula: C14H12N4O
• Molecular Weight: 252.275
• DSSTox Substance ID: DTXSID60463798
• Nikkaji Number: J1.772.385E
• Wikidata: Q82288838
• Mol file: 60636-95-5.mol

Synonyms:60636-95-5;2H-Tetrazole, 2-(4-methoxyphenyl)-5-phenyl-;2-(4-methoxyphenyl)-5-phenyltetrazole;SCHEMBL17273889;DTXSID60463798

Chemical Property of 2H-Tetrazole, 2-(4-methoxyphenyl)-5-phenyl-

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 252.10111102
• Heavy Atom Count: 19
• Complexity: 275

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)N2N=C(N=N2)C3=CC=CC=C3

Technology Process of 2H-Tetrazole, 2-(4-methoxyphenyl)-5-phenyl-

There total 10 articles about 2H-Tetrazole, 2-(4-methoxyphenyl)-5-phenyl- 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%

4-methoxyphenylboronic acid (5720-07-0) + 5-phenyl-2H-1,2,3,4-tetrazole (18039-42-4) → 2-(4-methoxyphenyl)-5-phenyltetrazole (60636-95-5)

Guidance literature:

With copper(I) oxide; oxygen; In dimethyl sulfoxide; at 100 ℃; for 4h; under 760.051 Torr; regioselective reaction;

DOI:10.1039/c2cc17894j

Reference yield: 94.0%

5-phenyl-2H-1,2,3,4-tetrazole (18039-42-4) + bis(4-methoxyphenyl)iodonium tetrafluoroborate → 2-(4-methoxyphenyl)-5-phenyltetrazole (60636-95-5)

Guidance literature:

With Cu(II) phenylcyclopropyl carboxylate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In tert-butyl alcohol; at 80 ℃; for 8h;

DOI:10.1016/S0040-4039(02)01325-4

Reference yield: 85.0%

bis(4-methoxy-phenyl)-iodonium cation (46835-94-3) + 5-phenyl-2H-1,2,3,4-tetrazole (18039-42-4) → 2-(4-methoxyphenyl)-5-phenyltetrazole (60636-95-5)

Guidance literature:

With potassium hydroxide; copper; for 16h; Heating;

DOI:10.1023/B:COHC.0000027890.05668.07

upstream raw materials:

5-Phenyl-1H-tetrazole

4,4'-dimethoxy-diphenyliodonium bromide

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

bis(4-methoxy-phenyl)-iodonium cation

Downstream raw materials:

N-(4-Methoxyphenyl)-C-phenylnitrilimin

2-(4-methoxy-phenyl)-3-methyl-5-phenyl-3,4-dihydro-2H-pyrazole-3-carboxylic acid methyl ester

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

p-benzoquinone