4-(2,3-Dimethylphenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione

Base Information

Chemical Name:4-(2,3-Dimethylphenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
CAS No.:7167-31-9
Molecular Formula:C18H15F4N3OS
Molecular Weight:364.164
Hs Code.:
DSSTox Substance ID:DTXSID00412609
Wikidata:Q82220061

Synonyms:7167-31-9;DTXSID00412609;AKOS005435986;4-(2,3-dimethylphenyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-1,2,4-triazole-5-thione;4-(2,3-dimethylphenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4H-1,2,4-triazole-3-thiol;4-(2,3-Dimethylphenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione;3H-1,2,4-Triazole-3-thione, 4-(2,3-dimethylphenyl)-2,4-dihydro-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-;4-(2,3-DIMETHYLPHENYL)-5-[3-(1,1,2,2-TETRAFLUOROETHOXY)PHENYL]-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE

Suppliers and Price of 4-(2,3-Dimethylphenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione

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

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Chemical Property of 4-(2,3-Dimethylphenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione

Chemical Property:

Vapor Pressure:2.08E-08mmHg at 25°C
Boiling Point:453.3°Cat760mmHg
Flash Point:228°C
Density:1.38g/cm³
XLogP3:5.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:397.08719593
Heavy Atom Count:27
Complexity:589

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 4-(2,3-Dimethylphenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione

There total 1 articles about 4-(2,3-Dimethylphenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-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: 75.0%

: 593-60-2,25951-54-6
Vinyl bromide

: 53398-55-3
1-bromo-3,5,7-trimethyladamantane

: 7167-31-9
1-(2,2-Dibrom-ethyl)-3,5,7-trimethyl-adamantan

Guidance literature:: With aluminum tri-bromide; at -78 ℃; for 3h; Inert atmosphere;
DOI:10.1021/acs.joc.5b00661

Reference yield:

: 7167-31-9
1-(2,2-Dibrom-ethyl)-3,5,7-trimethyl-adamantan

: 1-(2,3-dichloro-4-iodophenyl)ethynyl-3,5,7-trimethyladamantane

: bis((3,5,7-trimethyladamantyl)-1-ethynyl)-2,3-dichlorobenzene

Guidance literature:: Multi-step reaction with 2 steps

1: potassium tert-butylate / tetrahydrofuran / 72 h / 0 - 25 °C / Inert atmosphere

2: tetrakis(triphenylphosphine) palladium⁽⁰⁾; copper(l) iodide; triethylamine / tetrahydrofuran / 5 h / 40 °C / Inert atmosphere

With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium tert-butylate; triethylamine; In tetrahydrofuran; 2: |Sonogashira Cross-Coupling;
DOI:10.1021/acs.joc.5b00661