6-tert-Butyl-4-(methylamino)-3-methylsulfanyl-1,6-dihydro-1,2,4-triazin-5-one

Base Information

Chemical Name:6-tert-Butyl-4-(methylamino)-3-methylsulfanyl-1,6-dihydro-1,2,4-triazin-5-one
CAS No.:93697-89-3
Molecular Formula:C₉H₁₈N₄OS
Molecular Weight:230.334
Hs Code.:
DSSTox Substance ID:DTXSID90918201

Synonyms:6-tert-Butyl-4-(methylamino)-3-methylsulfanyl-1,6-dihydro-1,2,4-triazin-5-one;93697-89-3;1,2,4-Triazin-5(4H)-one, 6-(1,1-dimethylethyl)-1,6-dihydro-4-(methylamino)-3-(methylthio)-;DTXSID90918201;6-tert-Butyl-4-(methylamino)-3-(methylsulfanyl)-1,6-dihydro-1,2,4-triazin-5(4H)-one

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Supply Marketing:

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

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Chemical Property of 6-tert-Butyl-4-(methylamino)-3-methylsulfanyl-1,6-dihydro-1,2,4-triazin-5-one

Chemical Property:

Vapor Pressure:0.00106mmHg at 25°C
Boiling Point:301.4°Cat760mmHg
Flash Point:136.1°C
Density:1.23g/cm³
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:230.12013238
Heavy Atom Count:15
Complexity:284

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1C(=O)N(C(=NN1)SC)NC

Technology Process of 6-tert-Butyl-4-(methylamino)-3-methylsulfanyl-1,6-dihydro-1,2,4-triazin-5-one

There total 7 articles about 6-tert-Butyl-4-(methylamino)-3-methylsulfanyl-1,6-dihydro-1,2,4-triazin-5-one 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: 65.0%

: 93679-16-4
3-methylthio-4-amino-1,6-dihydro-1,2,4-triazin-5(4H)-one

: 74-88-4
methyl iodide

: 93697-89-3
4-methylamino-1,6-dihydro-1,2,4-triazinone

Guidance literature:: With n-butyllithium; In tetrahydrofuran; hexane; -20 deg C, 10 min. then r.t. 10 h;
DOI:10.1002/jhet.5570220104

Reference yield:

: 25117-56-0
2-bromo-3,3-dimethylbutanamide

: 93697-89-3
4-methylamino-1,6-dihydro-1,2,4-triazinone

Guidance literature:: Multi-step reaction with 6 steps

1: 71 percent / NH₂-NH₂

2: 1.) NaH

3: 55 percent / NH₂-NH₂

4: 54 percent / aq.HCl / Heating

5: 93 percent

6: 65 percent / n-BuLi / tetrahydrofuran / -20 °C

With hydrogenchloride; n-butyllithium; sodium hydride; hydrazine; In tetrahydrofuran;

Reference yield:

: 94128-19-5
2-Hydrazino-3,3-dimethylbutanamide

: 93697-89-3
4-methylamino-1,6-dihydro-1,2,4-triazinone

Guidance literature:: Multi-step reaction with 5 steps

1: 1.) NaH

2: 55 percent / NH₂-NH₂

3: 54 percent / aq.HCl / Heating

4: 93 percent

5: 65 percent / n-BuLi / tetrahydrofuran / -20 °C

With hydrogenchloride; n-butyllithium; sodium hydride; hydrazine; In tetrahydrofuran;