1,2,4-Triazine-3,5(2H,4H)-dione, 4-amino-6-(1,1-dimethylethyl)-

Base Information

• Chemical Name: 1,2,4-Triazine-3,5(2H,4H)-dione, 4-amino-6-(1,1-dimethylethyl)-
• CAS No.: 56507-37-0
• Molecular Formula: C7H12N4O2
• Molecular Weight: 184.2
• UNII: J720PX0KGE
• DSSTox Substance ID: DTXSID9037616
• Nikkaji Number: J12.490G
• Wikidata: Q27156834
• ChEMBL ID: CHEMBL1902655

Synonyms:diketometribuzin

Chemical Property of 1,2,4-Triazine-3,5(2H,4H)-dione, 4-amino-6-(1,1-dimethylethyl)-

Chemical Property:

• Vapor Pressure: 4.66E-05mmHg at 25°C
• Melting Point: 167-168 °C
• Boiling Point: 312.4°C at 760 mmHg
• PKA: 10.06±0.40(Predicted)
• Flash Point: 142.7°C
• PSA: 93.77000
• Density: 1.4g/cm³
• LogP: -0.47590
• Storage Temp.: 0-6°C
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 184.09602564
• Heavy Atom Count: 13
• Complexity: 289

Purity/Quality:

98% ^*data from raw suppliers

MetribuzinDK ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=NNC(=O)N(C1=O)N
• Uses: Metribuzin DK is a selective triazine herbicide used in the control of broadleaf weeds. Used in the protection of vegetable and fruit crops. Pesticide.

Technology Process of 1,2,4-Triazine-3,5(2H,4H)-dione, 4-amino-6-(1,1-dimethylethyl)-

There total 3 articles about 1,2,4-Triazine-3,5(2H,4H)-dione, 4-amino-6-(1,1-dimethylethyl)- 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: 88.0%

4-amino-6-tert-butyl-3-methylthio-1,2,4-triazin-5(4H)-one (21087-64-9) → 4-amino-6-tert-butyl-1,2,4-triazine-3,5(2H,4H)-dione (56507-37-0)

Guidance literature:

With potassium hydroxide; 2-hydroxyethanethiol; at 100 ℃; for 16h;

DOI:10.1055/s-1987-28200

Reference yield: 30.0%

4-amino-6-tert-butyl-3-methylthio-1,2,4-triazin-5(4H)-one (21087-64-9) → 4-amino-6-(1,1-dimethylethyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one (90269-30-0) + 4-amino-6-tert-butyl-1,2,4-triazine-3,5(2H,4H)-dione (56507-37-0) + 6-t-butyl-3-methylthio-1,2,4-triazine-5(4H)-one (35045-02-4)

Guidance literature:

With dihydrogen peroxide; In dichloromethane; for 0.416667h;

DOI:10.1016/j.tetlet.2007.05.115

Reference yield: 24.0%

4-amino-6-tert-butyl-3-methylthio-1,2,4-triazin-5(4H)-one (21087-64-9) → 6-t-butyl-1,2,4-triazin-3,5(2H,4H)-dione (52236-30-3) + 4-amino-6-tert-butyl-1,2,4-triazine-3,5(2H,4H)-dione (56507-37-0) + 6-t-butyl-3-methylthio-1,2,4-triazine-5(4H)-one (35045-02-4)

Guidance literature:

With dihydrogen peroxide; In dichloromethane; for 3h;

DOI:10.1016/j.tetlet.2007.05.115

upstream raw materials:

4-amino-6-tert-butyl-3-methylthio-1,2,4-triazin-5(4H)-one

Downstream raw materials:

6-t-butyl-1,2,4-triazin-3,5(2H,4H)-dione

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