5-Phenyl-2-(2-phenylpropan-2-yl)-2H-tetrazole

Base Information

• Chemical Name: 5-Phenyl-2-(2-phenylpropan-2-yl)-2H-tetrazole
• CAS No.: 165670-57-5
• Molecular Formula: C16H16N4
• Molecular Weight: 264.33
• Hs Code.: 2933990090
• European Community (EC) Number: 700-215-6,921-966-8
• DSSTox Substance ID: DTXSID00361663
• Mol file: 165670-57-5.mol

Synonyms:165670-57-5;5-Phenyl-2-(2-phenylpropan-2-yl)-2H-tetrazole;5-phenyl-2-(2-phenylpropan-2-yl)tetrazole;2-(1-methyl-1-phenylethyl)-5-phenyl-2H-Tetrazole;2H-Tetrazole, 2-(1-methyl-1-phenylethyl)-5-phenyl-;EC 700-215-6;HMS1596H19;SCHEMBL4617609;DTXSID00361663;KUC105371N;KSC-7-202;MFCD05996221;AKOS015915275;DS-4216;CS-0187168;FT-0652599;D82491;2-(alpha,alpha-dimethylbenzyl)-5-phenyltetrazole;A810656;SR-01000283666;SR-01000283666-1;5-phenyl-2-(2-phenylpropan-2-yl)-1,2,3,4-tetrazole

Chemical Property of 5-Phenyl-2-(2-phenylpropan-2-yl)-2H-tetrazole

Chemical Property:

• Vapor Pressure: 9.18E-08mmHg at 25°C
• Melting Point: 51℃
• Refractive Index: 1.619
• Boiling Point: 434.8 °C at 760 mmHg
• Flash Point: 216.8 °C
• PSA: 43.60000
• Density: 1.13 g/cm³
• LogP: 3.12350
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 264.137496527
• Heavy Atom Count: 20
• Complexity: 306

Purity/Quality:

99% ^*data from raw suppliers

5-Phenyl-2-(2-phenylpropan-2-yl)tetrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Phenyl-2-(2-phenylpropan-2-yl)-2H-tetrazole

There total 3 articles about 5-Phenyl-2-(2-phenylpropan-2-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: 93.0%

5-phenyl-2H-1,2,3,4-tetrazole (18039-42-4) + isopropenylbenzene (98-83-9,6144-04-3,25014-31-7,42612-14-6) → 2-(α,α-dimethylbenzyl)-5-phenyltetrazole (165670-57-5)

Guidance literature:

5-phenyl-2H-1,2,3,4-tetrazole; With trichloroacetic acid; In chloroform; at 20 ℃; for 0.0833333h;

isopropenylbenzene; In chloroform; at 20 ℃; for 6h;

DOI:10.1023/B:RUJO.0000036078.84508.e8

Reference yield: 83.0%

2-methyl-2-phenylpropionic acid (826-55-1) + 5-phenyl-2H-1,2,3,4-tetrazole (18039-42-4) → 2-(α,α-dimethylbenzyl)-5-phenyltetrazole (165670-57-5)

Guidance literature:

With 2,4,6-trimethyl-pyridine; tert-butylammonium hexafluorophosphate(V); In dichloromethane; for 2.5h; Molecular sieve; Electrochemical reaction;

DOI:10.1021/acs.orglett.0c02799

Reference yield:

2-methoxymethyl-5-phenyltetrazole (807334-57-2) → 2-(α,α-dimethylbenzyl)-5-phenyltetrazole (165670-57-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 95 percent / HCl; water / 70 °C

2.1: trichloroacetic acid / CHCl₃ / 0.08 h / 20 °C

2.2: 93 percent / CHCl₃ / 6 h / 20 °C

With hydrogenchloride; water; trichloroacetic acid; In chloroform;

DOI:10.1023/B:RUJO.0000036078.84508.e8

upstream raw materials:

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

isopropenylbenzene

2-methoxymethyl-5-phenyltetrazole

2-methyl-2-phenylpropionic acid

Downstream raw materials:

5-Phenyl-1H-tetrazole

Refernces

• 1、 Myznikov,Artamonova,Koldobskii,Hrabalek. "Tetrazoles: XLVI. Alkylation of 5-substituted tetrazoles with methyl chloromethyl ether and α-methylstyrene". . p. 551 - 554. Retrieved 2007/10/03.