1-(4-Chlorophenyl)-1H-1,2,3-triazole

Base Information

• Chemical Name: 1-(4-Chlorophenyl)-1H-1,2,3-triazole
• CAS No.: 20320-16-5
• Molecular Formula: C8H6ClN3
• Molecular Weight: 179.609
• ChEMBL ID: CHEMBL4764760
• DSSTox Substance ID: DTXSID40518290
• Nikkaji Number: J469.556I
• Wikidata: Q82380886
• Mol file: 20320-16-5.mol

Synonyms:1-(4-Chlorophenyl)-1H-1,2,3-triazole;20320-16-5;CHEMBL4764760;SCHEMBL11102521;DTXSID40518290;BDBM50554494;10.14272/XFKWCLGRWPWSMD-UHFFFAOYSA-N;10.14272/XFKWCLGRWPWSMD-UHFFFAOYSA-N.1;10.14272/XFKWCLGRWPWSMD-UHFFFAOYSA-N.2;doi:10.14272/XFKWCLGRWPWSMD-UHFFFAOYSA-N;doi:10.14272/XFKWCLGRWPWSMD-UHFFFAOYSA-N.1;doi:10.14272/XFKWCLGRWPWSMD-UHFFFAOYSA-N.2

Chemical Property of 1-(4-Chlorophenyl)-1H-1,2,3-triazole

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 179.0250249
• Heavy Atom Count: 12
• Complexity: 145

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N2C=CN=N2)Cl

Technology Process of 1-(4-Chlorophenyl)-1H-1,2,3-triazole

There total 21 articles about 1-(4-Chlorophenyl)-1H-1,2,3-triazole 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%

1-azido-4-chlorobenzene (3296-05-7) + acetylene (74-86-2,25067-58-7) → 1-(4-chlorophenyl)-1H-1,2,3-triazole (20320-16-5)

Guidance literature:

With copper(l) iodide; triethylamine; In dimethyl sulfoxide; at 20 ℃; for 24h; under 760.051 Torr;

DOI:10.1055/s-0029-1216745

Reference yield: 90.0%

1-azido-4-chlorobenzene (3296-05-7) + calcium carbide (75-20-7) → 1-(4-chlorophenyl)-1H-1,2,3-triazole (20320-16-5)

Guidance literature:

With copper(l) iodide; sodium 2-(1,2-dihydroxyethyl)-4-hydroxy-5-oxo-2,5-dihydro-furan-3-olate; In water; acetonitrile; at 20 ℃; for 6h;

DOI:10.1055/s-0029-1218346

Reference yield: 87.0%

1-azido-4-chlorobenzene (3296-05-7) + 2-chloro-ethanol (107-07-3) → 1-(4-chlorophenyl)-1H-1,2,3-triazole (20320-16-5)

Guidance literature:

2-chloro-ethanol; With tetra-(n-butyl)ammonium iodide; potassium iodide; In tetrahydrofuran; N,N-dimethyl-formamide; at 80 ℃; for 24h; polystyrene/1percent divinylbenzene resin Inert atmosphere;

With acetic anhydride; 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; at 0 - 20 ℃; polystyrene/1percent divinylbenzene resin

1-azido-4-chlorobenzene; Further stages;

DOI:10.1016/j.reactfunctpolym.2012.11.002

upstream raw materials:

furan

1-azido-4-chlorobenzene

2,5-dimethylfuran

1-ethenyl-2-pyrrolidinone