1-(4-ethoxyphenyl)-5-methyl-1H-tetrazole

Base Information

• Chemical Name: 1-(4-ethoxyphenyl)-5-methyl-1H-tetrazole
• CAS No.: 64170-54-3
• Molecular Formula: C10H12N4O
• Molecular Weight: 204.231
• DSSTox Substance ID: DTXSID20394756
• Wikidata: Q82194353
• Mol file: 64170-54-3.mol

Synonyms:64170-54-3;1-(4-ethoxyphenyl)-5-methyl-1H-tetrazole;SCHEMBL4210492;DTXSID20394756

Chemical Property of 1-(4-ethoxyphenyl)-5-methyl-1H-tetrazole

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 204.10111102
• Heavy Atom Count: 15
• Complexity: 194

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)N2C(=NN=N2)C

Technology Process of 1-(4-ethoxyphenyl)-5-methyl-1H-tetrazole

There total 3 articles about 1-(4-ethoxyphenyl)-5-methyl-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:

1-(4-ethoxy-phenyl)-ethanone oxime (2671-84-3) → 1-(4'-ethoxyphenyl)-5-methyl-1H-tetrazole (64170-54-3)

Guidance literature:

With diphenylphosphoranyl azide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In toluene; at 120 ℃; for 16h; Inert atmosphere;

DOI:10.3987/COM-20-14321

Reference yield:

Phenetole (103-73-1) → 1-(4'-ethoxyphenyl)-5-methyl-1H-tetrazole (64170-54-3)

Guidance literature:

Multi-step reaction with 3 steps

1: aluminum (III) chloride / dichloromethane / 2 h / 0 °C / Sealed tube; Inert atmosphere

2: potassium carbonate; hydroxylamine hydrochloride / methanol / 16 h / 20 °C / Inert atmosphere

3: diphenylphosphoranyl azide; 1,8-diazabicyclo[5.4.0]undec-7-ene / toluene / 16 h / 120 °C / Inert atmosphere

With aluminum (III) chloride; diphenylphosphoranyl azide; hydroxylamine hydrochloride; potassium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; In methanol; dichloromethane; toluene; 1: |Friedel-Crafts Acylation;

DOI:10.3987/COM-20-14321

Reference yield:

4'-ethoxyacetophenone (1676-63-7) → 1-(4'-ethoxyphenyl)-5-methyl-1H-tetrazole (64170-54-3)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate; hydroxylamine hydrochloride / methanol / 16 h / 20 °C / Inert atmosphere

2: diphenylphosphoranyl azide; 1,8-diazabicyclo[5.4.0]undec-7-ene / toluene / 16 h / 120 °C / Inert atmosphere

With diphenylphosphoranyl azide; hydroxylamine hydrochloride; potassium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; In methanol; toluene;

DOI:10.3987/COM-20-14321

upstream raw materials:

Phenetole

4'-ethoxyacetophenone

1-(4-ethoxy-phenyl)-ethanone oxime

Refernces