5-[(4-Chloranylphenoxy)methyl]-1h-1,2,3,4-Tetrazole

Base Information

• Chemical Name: 5-[(4-Chloranylphenoxy)methyl]-1h-1,2,3,4-Tetrazole
• CAS No.: 24896-24-0
• Molecular Formula: C₈H₇ClN₄O
• Molecular Weight: 210.623
• European Community (EC) Number: 818-115-7
• DSSTox Substance ID: DTXSID501324177
• Wikidata: Q27461636
• ChEMBL ID: CHEMBL1427817
• Mol file: 24896-24-0.mol

Synonyms:5-[(4-chlorophenoxy)methyl]-1H-1,2,3,4-tetrazole;24896-24-0;5-[(4-chlorophenoxy)methyl]-2H-tetrazole;5-[(4-Chloranylphenoxy)methyl]-1h-1,2,3,4-Tetrazole;5-[(4-chlorophenoxy)methyl]-1H-tetrazole;MLS001163664;CHEMBL1427817;DTXSID501324177;HMS1605N06;HMS2821J12;STK667397;AKOS001726245;HR-0368;SMR000498657;CS-0235760;EN300-1608293;5-(4-chlorophenoxymethyl)-1H-1,2,3,4-tetrazole;Q27461636;Z111570484;J4K

Chemical Property of 5-[(4-Chloranylphenoxy)methyl]-1h-1,2,3,4-Tetrazole

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 210.0308386
• Heavy Atom Count: 14
• Complexity: 175

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1OCC2=NNN=N2)Cl

Technology Process of 5-[(4-Chloranylphenoxy)methyl]-1h-1,2,3,4-Tetrazole

There total 3 articles about 5-[(4-Chloranylphenoxy)methyl]-1h-1,2,3,4-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: 90.0%

(4-chlorophenoxy)acetonitrile (3598-13-8) → 5-((4-chlorophenoxy)methyl)-1H-tetrazole (24896-24-0)

Guidance literature:

With sodium azide; In water; isopropyl alcohol; for 6h; Reflux; Green chemistry;

DOI:10.5935/0103-5053.20160138

Reference yield:

4-chloro-phenol (106-48-9,82344-39-6) → 5-((4-chlorophenoxy)methyl)-1H-tetrazole (24896-24-0)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine; potassium carbonate; tetra-(n-butyl)ammonium iodide / acetonitrile / Reflux

2: sodium azide / water; isopropyl alcohol / 6 h / Reflux; Green chemistry

With sodium azide; tetra-(n-butyl)ammonium iodide; potassium carbonate; triethylamine; In water; isopropyl alcohol; acetonitrile;

DOI:10.5935/0103-5053.20160138

Reference yield:

→ 5-((4-chlorophenoxy)methyl)-1H-tetrazole (24896-24-0)

Guidance literature:

/BRN= 189095/;

DOI:10.1021/jo01092a021

upstream raw materials:

4-chloro-phenol

(4-chlorophenoxy)acetonitrile