5-Benzyl-1H-tetrazole

Base Information

• Chemical Name: 5-Benzyl-1H-tetrazole
• CAS No.: 18489-25-3
• Molecular Formula: C8H8N4
• Molecular Weight: 160.178
• Hs Code.: 29339980
• Mol file: 18489-25-3.mol

Synonyms:5-(Phenylmethyl)-1H-tetrazole;

Chemical Property of 5-Benzyl-1H-tetrazole

Chemical Property:

• Appearance/Colour: White crysatl
• Vapor Pressure: 2.88E-05mmHg at 25°C
• Melting Point: 117-121 °C
• Refractive Index: 1.615
• Boiling Point: 356.6 °C at 760 mmHg
• PKA: 5.00±0.10(Predicted)
• Flash Point: 172.6 °C
• PSA: 54.46000
• Density: 1.262 g/cm³
• LogP: 0.79050
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: soluble in Ethanol

Purity/Quality:

99% ^*data from raw suppliers

5-Benzyl-1H-tetrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xi,Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-Benzyl-1H-tetrazole

There total 17 articles about 5-Benzyl-1H-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%

phenylacetonitrile (140-29-4) → 5-benzyl-2H-tetrazole (18489-25-3)

Guidance literature:

With sodium azide; triethylamine hydrochloride; In toluene; at 100 ℃; for 16h;

Reference yield: 99.0%

phenylacetonitrile (140-29-4) → 5-benzyl-1H-tetrazole (18489-25-3)

Guidance literature:

With sodium azide; In N,N-dimethyl-formamide; at 120 ℃; for 3h;

DOI:10.14233/ajchem.2017.20337

Reference yield: 87.0%

1,5-dibenzyl-1H-tetrazole (28386-91-6) → 5-benzyl-1H-tetrazole (18489-25-3)

Guidance literature:

With acetic acid; zinc; In tetrahydrofuran; at 20 ℃; Reagent/catalyst; Temperature; Cooling with ice;

DOI:10.1055/s-0037-1610170

upstream raw materials:

phenyl(1H-tetrazol-5-yl)methanone

phenylacetonitrile

(±)-phenyl(1H-tetrazol-5-yl)methanol

2-phenoxy-1-phenylethanone

Downstream raw materials:

2-benzyl-5-methyl-1,3,4-oxadiazole

2,5-dibenzyl-[1,3,4]oxadiazole

2-benzyl-5-(3,5-dinitro-phenyl)-[1,3,4]oxadiazole

3-benzylfervenulin

Refernces

• 1、 Aali, Elaheh,Gholizadeh, Mostafa,Noroozi-Shad, Nazanin. "1-Disulfo-[2,2-bipyridine]-1,1-diium chloride ionic liquid as an efficient catalyst for the green synthesis of 5-substituted 1H-tetrazoles". . . Retrieved 2021/08/30.
• 2、 Ashraf, Muhammad Aqeel,Liu, Zhenling,Li, Cheng,Zhang, Dangquan. "Fe3O4@L-lysine-Pd(0) organic–inorganic hybrid: As a novel heterogeneous magnetic nanocatalyst for chemo and homoselective [2 + 3] cycloaddition synthesis of 5-substituted 1H-tetrazoles". . . Retrieved 2020/12/23.