5-Phenyl-2-trityltetrazole

Base Information

• Chemical Name: 5-Phenyl-2-trityltetrazole
• CAS No.: 87268-78-8
• Molecular Formula: C26H20N4
• Molecular Weight: 388.472
• DSSTox Substance ID: DTXSID30391135
• Nikkaji Number: J1.714.222D
• ChEMBL ID: CHEMBL5011603
• Mol file: 87268-78-8.mol

Synonyms:5-phenyl-2-trityltetrazole;87268-78-8;2H-Tetrazole, 5-phenyl-2-(triphenylmethyl)-;5-phenyl-2-trityl-2H-tetrazole;5-Phenyl-2-triphenylmethyltetrazole;2-trityl-5-phenyltetrazole;SCHEMBL4638378;(2-Trityltetrazol-5-yl)benzene;CHEMBL5011603;2-Trityl-5-phenyl-2H-tetrazole;DTXSID30391135;HOCMARZVAUWOFA-UHFFFAOYSA-N;STL115079;AKOS000277279;FT-0673851;SR-01000421151;SR-01000421151-1

Chemical Property of 5-Phenyl-2-trityltetrazole

Chemical Property:

• PSA: 43.60000
• LogP: 5.18030
• Solubility.: Chloroform, Dichloromethane, Methanol, Tetrahydrofuran
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 388.16879665
• Heavy Atom Count: 30
• Complexity: 468

Purity/Quality:

97% ^*data from raw suppliers

5-Phenyl-2-trityltetrazole ^*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=NN(N=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Technology Process of 5-Phenyl-2-trityltetrazole

There total 8 articles about 5-Phenyl-2-trityltetrazole 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: 93.0%

5-Phenyl-1H-tetrazole (18039-42-4,3999-10-8) + trityl chloride (76-83-5) → 2-trityl-5-phenyl-2H-tetrazole (87268-78-8)

Guidance literature:

With sodium hydroxide; tetrabutylammomium bromide; In chloroform; at 20 ℃;

DOI:10.1023/A:1013801413344 DOI:10.1023/A:1021672317335

Reference yield: 65.0%

5-Phenyl-1H-tetrazole (18039-42-4,3999-10-8) + Triphenylmethylamin (5824-40-8) → 2-trityl-5-phenyl-2H-tetrazole (87268-78-8)

Guidance literature:

With 1,3-(2,2-dimethyl)propanedinitrite; In ethyl acetate; at 80 ℃; for 16h;

DOI:10.1021/acs.joc.1c01585

Reference yield: 43.0%

trityl chloride (76-83-5) + 5-phenyl-2H-1,2,3,4-tetrazole (18039-42-4) → 2-trityl-5-phenyl-2H-tetrazole (87268-78-8)

Guidance literature:

With tetrabutylammomium bromide; sodium hydroxide; In dichloromethane; at 20 ℃; for 18h;

DOI:10.1002/ejoc.201701225

upstream raw materials:

trityl chloride

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

5-Phenyl-1H-tetrazole

water

Downstream raw materials:

2-n-butyl-4-chloro-1-[(2'-(2-triphenylmethyl-2H-tetrazol-5-yl)-1,1'-biphenyl-4-yl)methyl]-1H-imidazole-5-methanol

N-tritylimidazole

1-(triphenylmethyl)-benzimidazole

methoxytriphenylmethane

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