N-Methyl Metribuzin

Base Information

• Chemical Name: N-Methyl Metribuzin
• CAS No.: 56742-45-1
• Molecular Formula: C9H16N4OS
• Molecular Weight: 228.318
• DSSTox Substance ID: DTXSID70538663
• Wikidata: Q82414134
• Mol file: 56742-45-1.mol

Synonyms:56742-45-1;N-Methyl Metribuzin;6-tert-butyl-4-(methylamino)-3-methylsulfanyl-1,2,4-triazin-5-one;6-(tert-Butyl)-4-(methylamino)-3-(methylthio)-1,2,4-triazin-5(4H)-one;Metribuzin-N-methyl;SPI-115;Metribuzin Impurity;6-tert-Butyl-4-(methylamino)-3-(methylthio)-1,2,4-triazin-5(4H)-one;SCHEMBL10505819;DTXSID70538663;6-(1,1-Dimethylethyl)-4-(methylamino)-3-(methylthio)-1,2,4-triazin-5(4H)-one;CID 13375851;PD118289;6-tert-Butyl-4-(methylamino)-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one;6-tert-butyl-4-(methylamino)-3-(methylsulfanyl)-4,5-dihydro-1,2,4-triazin-5-one

Chemical Property of N-Methyl Metribuzin

Chemical Property:

• Vapor Pressure: 0.00114mmHg at 25°C
• Refractive Index: 1.588
• Boiling Point: 300.1°Cat760mmHg
• PKA: 0.09±0.20(Predicted)
• Flash Point: 135.3°C
• PSA: 85.11000
• Density: 1.22g/cm³
• LogP: 0.90400
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 228.10448232
• Heavy Atom Count: 15
• Complexity: 330

Purity/Quality:

99% ^*data from raw suppliers

N-MethylMetribuzin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=NN=C(N(C1=O)NC)SC
• Uses: N-Methyl Metribuzin is an aminotriazinone and the methylamine analogue of the herbicide Metribuzin. N-Methyl Metribuzin shows inhibition of photosynthetic electron transport in chloroplasts.

Technology Process of N-Methyl Metribuzin

There total 1 articles about N-Methyl Metribuzin 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:

methyl bromide (74-83-9) + 4-amino-6-tert-butyl-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine (33509-43-2) → 4-amino-6-t-butyl-2,3-dihydro-2-methyl-3-thioxo-1,2,4-triazin-5(4H)-one + 6-tert-butyl-4-methylamino-3-methylsulfanyl-4H-[1,2,4]triazin-5-one (56742-45-1) + 4-amino-6-tert-butyl-3-methylthio-1,2,4-triazin-5(4H)-one (21087-64-9)

Guidance literature:

With lithium chloride; sodium hydroxide; In methanol; water; at 10 - 15 ℃; pH=11.5 - 12.5; Reagent/catalyst; Overall yield = 99.4 %; Overall yield = 161 g;

upstream raw materials:

methyl bromide

4-amino-6-tert-butyl-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine

Refernces