1,4-Diphenyltriazole

Base Information

• Chemical Name: 1,4-Diphenyltriazole
• CAS No.: 13148-78-2
• Molecular Formula: C14H11 N3
• Molecular Weight: 221.261
• Hs Code.: 2933990090
• NSC Number: 133541
• DSSTox Substance ID: DTXSID80299894
• Nikkaji Number: J102.771I
• Wikidata: Q82042590
• ChEMBL ID: CHEMBL1269718
• Mol file: 13148-78-2.mol

Synonyms:1,4-diphenyl-1,2,3-triazole

Chemical Property of 1,4-Diphenyltriazole

Chemical Property:

• Vapor Pressure: 4.68E-07mmHg at 25°C
• Boiling Point: 413.8°Cat760mmHg
• Flash Point: 204°C
• PSA: 30.71000
• Density: 1.14g/cm³
• LogP: 2.93430
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 221.095297364
• Heavy Atom Count: 17
• Complexity: 232

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CN(N=N2)C3=CC=CC=C3

Technology Process of 1,4-Diphenyltriazole

There total 72 articles about 1,4-Diphenyltriazole 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%

phenylacetylene (536-74-3) + Phenyl azide (622-37-7) → 1,4-diphenyl-[1,2,3]-triazole (13148-78-2)

Guidance literature:

With copper(II) oxide; sodium L-ascorbate; In water; tert-butyl alcohol; at 20 ℃; for 1h;

DOI:10.1039/c6ra20725a

Reference yield: 99.0%

iodobenzene (591-50-4) + phenylacetylene (536-74-3) → 1,4-diphenyl-[1,2,3]-triazole (13148-78-2)

Guidance literature:

With copper(l) iodide; sodium azide; sodium L-ascorbate; N,N`-dimethylethylenediamine; In water; dimethyl sulfoxide; at 60 ℃; for 15h; Inert atmosphere;

DOI:10.3762/bjoc.8.76

Reference yield: 99.0%

bromobenzene (108-86-1,52753-63-6) + phenylacetylene (536-74-3) → 1,4-diphenyl-[1,2,3]-triazole (13148-78-2)

Guidance literature:

With copper(l) iodide; sodium azide; sodium L-ascorbate; N,N`-dimethylethylenediamine; In water; dimethyl sulfoxide; at 95 ℃; for 15h; Inert atmosphere;

DOI:10.3762/bjoc.8.76

upstream raw materials:

1,4-diphenyl-1H-1,2,3-triazole-5-carboxylic acid

phenylacetylene

toluene

Phenyl azide

Downstream raw materials:

dimethyl 1-phenyl-1H-pyrazole-3,4-dicarboxylate

Refernces

• 1、 Feldman, Alina K.,Colasson, Benoit,Fokin, Valery V.. "One-pot synthesis of 1,4-disubstituted 1,2,3-triazoles from in situ generated azides". . p. 3897 - 3899. Retrieved 2004.
• 2、 Elhage, Ayda,Wang, Bowen,Marina, Nancy,Marin, M. Luisa,Cruz, Menandro,Lanterna, Anabel E.,Scaiano, Juan C.. "Glass wool: a novel support for heterogeneous catalysis". . p. 6844 - 6852. Retrieved 2018.
• 3、 Abbaspour, M.,Mohammadi Ziarani, G.,Rafiee, F.. "Immobilization of vitamin B1 on the magnetic dialdehyde starch as an efficient carbene-type support for the copper complexation and its catalytic activity examination". . . Retrieved 2021/11/16.
• 4、 Garg, Anirban,Borah, Nobomi,Sultana, Jasmin,Kulshrestha, Akshay,Kumar, Arvind,Sarma, Diganta. "Silica immobilized copper N-heterocyclic carbene: An effective route to 1,2,3-triazoles via azide-alkyne cycloaddition and multicomponent click reaction". . . Retrieved 2021/06/11.