1-(4-chlorophenyl)-5-methyl-1H-tetraazole

Base Information

• Chemical Name: 1-(4-chlorophenyl)-5-methyl-1H-tetraazole
• CAS No.: 40746-62-1
• Molecular Formula: C8H7ClN4
• Molecular Weight: 194.623
• Mol file: 40746-62-1.mol

Synonyms:1-(4-Chlor-phenyl)-5-methyl-1H-tetrazol;1H-Tetrazole,1-(4-chlorophenyl)-5-methyl;5-methyl-1-(4-chlorophenyl)tetrazole;1-(p-Chlorphenyl)-5-methyltetrazol;1-(4-Chlorophenyl)-5-methyl-1H-tetraazole;1-(4-Chlorphenyl)-5-methyltetrazol;1-(4-chloro-phenyl)-5-methyl-1H-tetrazole;

Chemical Property of 1-(4-chlorophenyl)-5-methyl-1H-tetraazole

Chemical Property:

• Melting Point: 119 °C
• Boiling Point: 340.4±44.0 °C(Predicted)
• PKA: 0.48±0.10(Predicted)
• PSA: 43.60000
• Density: 1.41±0.1 g/cm3(Predicted)
• LogP: 1.62410

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 1-(4-chlorophenyl)-5-methyl-1H-tetraazole

There total 7 articles about 1-(4-chlorophenyl)-5-methyl-1H-tetraazole 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: 92.0%

N-(4-chlorophenyl)ethanethioamide (5310-20-3) → 1-(4'-chlorophenyl)-5-methyl-1H-tetrazole (40746-62-1)

Guidance literature:

With sodium azide; tetrachlorosilane; In acetonitrile; at 20 - 82 ℃; for 6h;

DOI:10.1080/10426507.2011.586385

Reference yield: 84.0%

para-chloroacetophenone (99-91-2) → 1-(4'-chlorophenyl)-5-methyl-1H-tetrazole (40746-62-1)

Guidance literature:

With sodium azide; trichlorophosphate; at 80 ℃; for 9h; Inert atmosphere;

DOI:10.1039/c6nj03860c

Reference yield: 76.0%

(E)-1-(4-chlorophenyl)ethanone oxime (1956-39-4) → 1-(4'-chlorophenyl)-5-methyl-1H-tetrazole (40746-62-1)

Guidance literature:

With diphenyl phosphoryl azide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; for 16h; stereospecific reaction; Reflux;

DOI:10.1016/j.tetlet.2019.04.014

upstream raw materials:

para-chloroacetophenone

N-(4-chlorophenyl)ethanethioamide

(E)-1-(4-chlorophenyl)ethanone oxime

chlorobenzene

Refernces

• 1、 Shibasaki, Kaho,Togo, Hideo. "Facile preparation of 5-alkyl-1-aryltetrazoles with arenes, acyl chlorides, hydroxylamine, and diphenylphosphoryl azide". . p. 1816 - 1830. Retrieved 2020/11/19.
• 2、 Sribalan, Rajendran,Sangili, Arumugam,Banuppriya, Govindharasu,Padmini, Vediappen. "An efficient synthesis of nitrile, tetrazole and urea from carbonyl compounds". . p. 3414 - 3421. Retrieved 2017/07/13.