3-[(4-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione

Base Information

Chemical Name:3-[(4-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
CAS No.:76111-27-8
Molecular Formula:C16H15N3OS
Molecular Weight:297.381
Hs Code.:
DSSTox Substance ID:DTXSID801143796
Wikidata:Q27193380
ChEMBL ID:CHEMBL1454602

Synonyms:3-[(4-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione;76111-27-8;5-(4-methylphenoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol;5-[(4-methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol;MLS000764552;CHEMBL1454602;4-Phenyl-5-p-tolyloxymethyl-4H-[1,2,4]triazole-3-thiol;CHEBI:112917;DTXSID801143796;HMS2666K12;STK891277;AKOS000268519;SMR000290157;CS-0356080;EN300-110582;Q27193380;Z56276770;4-Phenyl-5-((p-tolyloxy)methyl)-4h-1,2,4-triazole-3-thiol;3-(4-Methylphenoxymethyl)-4-phenyl-1H-1,2,4triazole-5(4H)-thione;2,4-Dihydro-5-[(4-methylphenoxy)methyl]-4-phenyl-3H-1,2,4-triazole-3-thione

Suppliers and Price of 3-[(4-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione

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 2 raw suppliers

Chemical Property of 3-[(4-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione

Chemical Property:

Melting Point:198-200 °C(Solv: N,N-dimethylformamide (68-12-2); water (7732-18-5))
Boiling Point:429.9±47.0 °C(Predicted)
PSA：74.93000
Density:1.24±0.1 g/cm3(Predicted)
LogP:3.81730
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:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=C(C=C1)OCC2=NNC(=S)N2C3=CC=CC=C3

Technology Process of 3-[(4-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione

There total 4 articles about 3-[(4-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione 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:

: 28744-15-2
C₁₆H₁₇N₃O₂S

: 76111-27-8
5-[(4-methylphenoxy)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

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

Reference yield:

: 940-64-7
2-(4-methylphenoxy)acetic acid

: 76111-27-8
5-[(4-methylphenoxy)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

Guidance literature:: Multi-step reaction with 4 steps

1: sulfuric acid / water / 3 h / Reflux

2: hydrazine hydrate / ethanol / Reflux

3: ethanol / 2 h / Reflux

4: sodium hydroxide / water / 4 h / Reflux

With hydrazine hydrate; sulfuric acid; sodium hydroxide; In ethanol; water;
DOI:10.14233/ajchem.2021.23472

Reference yield:

: 67028-40-4
ethyl (4-methylphenoxy)acetate

: 76111-27-8
5-[(4-methylphenoxy)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

Guidance literature:: Multi-step reaction with 3 steps

1: hydrazine hydrate / ethanol / Reflux

2: ethanol / 2 h / Reflux

3: sodium hydroxide / water / 4 h / Reflux

With hydrazine hydrate; sodium hydroxide; In ethanol; water;
DOI:10.14233/ajchem.2021.23472