s-Triazole, 5-phenyl-3-(o-tolyl)-

Base Information

Chemical Name:s-Triazole, 5-phenyl-3-(o-tolyl)-
CAS No.:60510-57-8
Molecular Formula:C15H13N3
Molecular Weight:235.288
Hs Code.:2933990090
DSSTox Substance ID:DTXSID60209259
Nikkaji Number:J91.089I
Wikidata:Q83083482
ChEMBL ID:CHEMBL417817
Mol file:60510-57-8.mol

Synonyms:5-Phenyl-3-(o-tolyl)-s-triazole;s-Triazole, 5-phenyl-3-(o-tolyl)-;60510-57-8;3-(2-Methylphenyl)-5-phenyl-1H-1,2,4-triazole;1H-1,2,4-Triazole, 3-(2-methylphenyl)-5-phenyl-;CHEMBL417817;DTXSID60209259;AKOS008968350;LS-156091;5-Phenyl-3-(o-tolyl)-1H-1,2,4-triazole

Suppliers and Price of s-Triazole, 5-phenyl-3-(o-tolyl)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
5-PHENYL-3-(ORTHO-TOLYL)-S-TRIAZOLE 95.00%
5MG
$ 499.05

Total 3 raw suppliers

Chemical Property of s-Triazole, 5-phenyl-3-(o-tolyl)-

Chemical Property:

Vapor Pressure:2.22E-08mmHg at 25°C
Refractive Index:1.5610 (estimate)
Boiling Point:452.6°Cat760mmHg
Flash Point:210.2°C
PSA：41.57000
Density:1.17g/cm³
LogP:3.44710
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:235.110947427
Heavy Atom Count:18
Complexity:263

Purity/Quality:

99% ^*data from raw suppliers

5-PHENYL-3-(ORTHO-TOLYL)-S-TRIAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=CC=C1C2=NC(=NN2)C3=CC=CC=C3

Technology Process of s-Triazole, 5-phenyl-3-(o-tolyl)-

There total 8 articles about s-Triazole, 5-phenyl-3-(o-tolyl)- 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: 85.0%

: 3357-42-4
3-phenyl-1,2,4-triazole

: 529-20-4
2-methylphenyl aldehyde

: 60510-57-8
3-phenyl-5-o-tolyl-1H-1,2,4-triazole

Guidance literature:: With tert.-butylhydroperoxide; tetra-(n-butyl)ammonium iodide; In water; 1,2-dichloro-ethane; at 120 ℃; for 5h; Inert atmosphere;
DOI:10.1016/j.tetlet.2020.151989

Reference yield: 12.0%

: 80670-36-6
3-diazo-5-phenyl-3H-1,2,4-triazole

: 108-88-3,15644-74-3,16713-13-6
toluene

: 60510-57-8
3-phenyl-5-o-tolyl-1H-1,2,4-triazole

: 3213-95-4
5-(4-(methyl)phenyl)-3-(phenyl)-1H-1,2,4-triazole

: 840-68-6
5-benzyl-3-phenyl-1H-1,2,4-triazole

Guidance literature:: at 60 ℃;
DOI:10.1016/S0040-4039(00)95476-5

Reference yield:

: 118-90-1
ortho-methylbenzoic acid

: 60510-57-8
3-phenyl-5-o-tolyl-1H-[1,2,4]triazole

Guidance literature:: Multi-step reaction with 4 steps

1: SOCl₂ / 2 h / Heating

2: hydrazine hydrate / CH₂Cl₂; ethanol / 3 h / Ambient temperature

3: 1.) MeCN, reflux, 1 h, 2.) 110 deg C, 2 h

4: 0.17 h / 200 °C

With thionyl chloride; hydrazine hydrate; In ethanol; dichloromethane;
DOI:10.1021/jm00362a018