5-Phenoxymethyl-4-p-tolyl-4H-[1,2,4]triazole-3-thiol

Base Information

Chemical Name:5-Phenoxymethyl-4-p-tolyl-4H-[1,2,4]triazole-3-thiol
CAS No.:21358-14-5
Molecular Formula:C16H15N3OS
Molecular Weight:297.381
Hs Code.:
European Community (EC) Number:644-791-6
DSSTox Substance ID:DTXSID701322272
ChEMBL ID:CHEMBL1451691
Mol file:21358-14-5.mol

Synonyms:21358-14-5;5-Phenoxymethyl-4-p-tolyl-4H-[1,2,4]triazole-3-thiol;4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol;4-(4-methylphenyl)-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione;SALOR-INT L443212-1EA;Oprea1_595875;MLS000710601;CHEMBL1451691;DTXSID701322272;HMS2663C04;4-(4-methylphenyl)-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione;CCG-15983;STL264855;STL271906;AKOS000276232;AKOS002308429;SMR000280368;AB00092806-01;SR-01000418064;SR-01000418064-1;3-(Phenoxymethyl)-4-(p-tolyl)-1H-1,2,4-triazole-5(4H)-thione

Suppliers and Price of 5-Phenoxymethyl-4-p-tolyl-4H-[1,2,4]triazole-3-thiol

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

Total 1 raw suppliers

Chemical Property of 5-Phenoxymethyl-4-p-tolyl-4H-[1,2,4]triazole-3-thiol

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:297.09358328
Heavy Atom Count:21
Complexity:398

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)N2C(=NNC2=S)COC3=CC=CC=C3

Technology Process of 5-Phenoxymethyl-4-p-tolyl-4H-[1,2,4]triazole-3-thiol

There total 10 articles about 5-Phenoxymethyl-4-p-tolyl-4H-[1,2,4]triazole-3-thiol 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%

: 18233-68-6
1-phenoxyacetyl-4-(4-methylphenyl)-thiosemicarbazide

: 21358-14-5
3-phenoxymethyl-4-(4-methylphenyl)-Δ²-1,2,4-triazoline-5-thione

Guidance literature:: With sodium hydroxide; for 2h; Heating;

Reference yield: 72.0%

: 622-59-3
1-isothiocyanato-4-methylbenzene

: 4664-55-5
phenoxyacetyl hydrazine

: 21358-14-5
3-Mercapto-5-phenoxymethyl-4-(4'-tolyl)-s-triazole

Guidance literature:: With sodium hydroxide; for 4h; Heating;

Reference yield:

: 622-59-3
1-isothiocyanato-4-methylbenzene

: 21358-14-5
3-Mercapto-5-phenoxymethyl-4-(4'-tolyl)-s-triazole

Guidance literature:: Multi-step reaction with 2 steps

1: ethanol

2: sodium hydroxide

With sodium hydroxide; In ethanol;
DOI:10.1016/j.bioorg.2018.09.015