3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(2-thienyl)-

Base Information

Chemical Name:3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(2-thienyl)-
CAS No.:129521-52-4
Molecular Formula:C₈H₉N₃OS
Molecular Weight:195.245
Hs Code.:
DSSTox Substance ID:DTXSID80156195
Nikkaji Number:J347.388K
Wikidata:Q83024225
ChEMBL ID:CHEMBL92392

Synonyms:BRN 4184656;3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(2-thienyl)-;129521-52-4;2,4-Dihydro-2,4-dimethyl-5-(2-thienyl)-3H-1,2,4-triazol-3-one;CHEMBL92392;SCHEMBL9118620;DTXSID80156195;HWUIMHNMMNELCP-UHFFFAOYSA-N;LS-156514;2,4-Dimethyl-5-(2-thienyl)-2H-1,2,4-triazol-3(4H)-one;5-(2-Thienyl)-2,4-dihydro-2,4-dimethyl-3H-1,2,4-triazol-3-one

Suppliers and Price of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(2-thienyl)-

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
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price

Total 1 raw suppliers

Chemical Property of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(2-thienyl)-

Chemical Property:

Vapor Pressure:0.00678mmHg at 25°C
Boiling Point:270.6°C at 760 mmHg
Flash Point:117.5°C
Density:1.38g/cm³
XLogP3:1.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:195.04663309
Heavy Atom Count:13
Complexity:266

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C(=NN(C1=O)C)C2=CC=CS2

Technology Process of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(2-thienyl)-

There total 4 articles about 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(2-thienyl)- 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: 59.0%

: 117258-29-4
5-(thien-2-yl)-2,4-dihydro-4-methyl-3H-1,2,4-triazol-3-one

: 74-88-4
methyl iodide

: 129521-52-4
5-(2-Thienyl)-2,4-dihydro-2,4-dimethyl-3H-1,2,4-triazol-3-one

Guidance literature:: With sodium hydroxide; In ethanol; for 24h;
DOI:10.1021/jm00172a015

Reference yield:

: 2361-27-5
2-thienylhydrazide

: 129521-52-4
5-(2-Thienyl)-2,4-dihydro-2,4-dimethyl-3H-1,2,4-triazol-3-one

Guidance literature:: Multi-step reaction with 3 steps

1: 84 percent / tetrahydrofuran / 17 h

2: 82 percent / aq. NaOH / 23 h / Heating

3: 59 percent / aq. NaOH / ethanol / 24 h

With sodium hydroxide; In tetrahydrofuran; ethanol;
DOI:10.1021/jm00172a015

Reference yield:

: 117258-31-8
C₇H₉N₃O₂S

: 129521-52-4
5-(2-Thienyl)-2,4-dihydro-2,4-dimethyl-3H-1,2,4-triazol-3-one

Guidance literature:: Multi-step reaction with 2 steps

1: 82 percent / aq. NaOH / 23 h / Heating

2: 59 percent / aq. NaOH / ethanol / 24 h

With sodium hydroxide; In ethanol;
DOI:10.1021/jm00172a015