4,6-Dimethyl-1,2,3-triazine

Base Information

• Chemical Name: 4,6-Dimethyl-1,2,3-triazine
• CAS No.: 77202-09-6
• Molecular Formula: C5H7 N3
• Molecular Weight: 109.131
• DSSTox Substance ID: DTXSID20227959
• Nikkaji Number: J337.252I
• Wikidata: Q83107801
• Mol file: 77202-09-6.mol

Synonyms:4,6-Dimethyl-1,2,3-triazine;77202-09-6;1,2,3-Triazine, 4,6-dimethyl-;dimethyltriazine;SCHEMBL14008127;DTXSID20227959

Chemical Property of 4,6-Dimethyl-1,2,3-triazine

Chemical Property:

• Vapor Pressure: 0.374mmHg at 25°C
• Melting Point: 168-169 °C(Solv: benzene (71-43-2))
• Boiling Point: 204.5°C at 760 mmHg
• PKA: 2.40±0.10(Predicted)
• Flash Point: 85.7°C
• PSA: 38.67000
• Density: 1.073g/cm³
• LogP: 0.48840
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 109.063997236
• Heavy Atom Count: 8
• Complexity: 66.1

Purity/Quality:

4,6-Dimethyl-1,2,3-triazine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=NN=N1)C

Technology Process of 4,6-Dimethyl-1,2,3-triazine

There total 10 articles about 4,6-Dimethyl-1,2,3-triazine 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: 94.0%

3,5-Dimethyl-1H-pyrazol-1-amin (77202-06-3) → 3,5-dimethyl-1H-pyrazole (67-51-6) + 4,6-dimethyl-1,2,3-triazine (77202-09-6)

Guidance literature:

With lithium perchlorate; In acetonitrile; Product distribution; Mechanism; electrochemical oxidation, Pt-electrode; dependence of product yield and distribution on addition of H₂O or pyridine as solvents; same reaction of further N-aminopyrazoles;

DOI:10.1248/cpb.38.1524

Reference yield: 94.0%

4,6-Dimethyl-2,5-dihydro-[1,2,3]triazine (77202-20-1) → 4,6-dimethyl-1,2,3-triazine (77202-09-6) + 4,6-Dimethyl-[1,2,3]triazine 2-oxide (77202-16-5)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 12h;

Reference yield: 84.0%

3,5-Dimethyl-1H-pyrazol-1-amin (77202-06-3) → 4,6-dimethyl-1,2,3-triazine (77202-09-6)

Guidance literature:

With iodine; potassium hydrogencarbonate; In dichloromethane; water; for 0.5h; Ambient temperature;

upstream raw materials:

3,5-Dimethyl-1H-pyrazol-1-amin

4,6-Dimethyl-[1,2,3]triazine 2-oxide

2,4,6-Trimethyl-1,2,3-triazinium iodide

formamide

Downstream raw materials:

3,5-dimethyl-1-phenyl-1H-pyrazole

4,6-dimethyl-2-phenyl-2,5-dihydro-1,2,3-triazine

4,6-dimethyl-5-phenyl-2,5-dihydro-1,2,3-triazine

aniline

Refernces

• 1、 Itoh,Nagata,Okada,Ohsawa. "Electrooxidation of N-aminopyrazoles". . p. 1524 - 1526. Retrieved 2007/10/02.
• 2、 Itoh, Takashi,Ohsawa, Akio,Kaihoh, Terumitsu,Igeta, Hiroshi. "OXIDATION OF 2,5-DIHYDRO-1,2,3-TRIAZINES BY m-CHLOROPERBENZOIC ACID". . p. 33 - 36. Retrieved 2007/10/02.