6-Methyl-1,2,4-triazin-3-amine

Base Information

• Chemical Name: 6-Methyl-1,2,4-triazin-3-amine
• CAS No.: 18915-36-1
• Molecular Formula: C4H6 N4
• Molecular Weight: 110.11724
• Hs Code.: 2933699090
• DSSTox Substance ID: DTXSID80422529
• Nikkaji Number: J1.332.827G
• Mol file: 18915-36-1.mol

Synonyms:6-methyl-1,2,4-triazin-3-amine;18915-36-1;1,2,4-Triazin-3-amine,6-methyl-(9CI);SCHEMBL2629414;DLIPZMXRDYIYHK-UHFFFAOYSA-;DTXSID80422529;1,2,4-triazin-3-amine,6-methyl-;6-Methyl-1,2,4-triazine-3-amine;AKOS006338517;SB73380;(-)3-amino-6-methyl-1,2,4-triazine;CS-0448925;EN300-6481445;Z1203578846;InChI=1/C4H6N4/c1-3-2-6-4(5)8-7-3/h2H,1H3,(H2,5,6,8)

Chemical Property of 6-Methyl-1,2,4-triazin-3-amine

Chemical Property:

• PSA: 65.42000
• LogP: -0.30770
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 110.059246208
• Heavy Atom Count: 8
• Complexity: 74.4

Purity/Quality:

97% ^*data from raw suppliers

6-Methyl-1,2,4-triazin-3-amine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN=C(N=N1)N

Technology Process of 6-Methyl-1,2,4-triazin-3-amine

There total 4 articles about 6-Methyl-1,2,4-triazin-3-amine 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: 70.2%

Trimethylboroxine (823-96-1) + 3-Amino-6-bromo-1,2,4-triazine (69249-22-5) → 3-amino-6-methyl-1,2,4-triazine (18915-36-1)

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; caesium carbonate; In 1,4-dioxane; at 135 ℃; for 4h; Inert atmosphere; Microwave irradiation;

Reference yield:

aminoguanidine bicarbonate (2582-30-1) + 2-oxopropanal (78-98-8) → 3-Amino-5-methyl-1,2,4-triazine (6302-68-7) + 3-amino-6-methyl-1,2,4-triazine (18915-36-1)

Guidance literature:

aminoguanidine bicarbonate; With hydrogenchloride; In water; pH=3 - 4;

2-oxopropanal; With potassium hydroxide; In water; at 20 ℃; for 2h; pH=12; Overall yield = 18 %; Overall yield = 53.1 mg;

DOI:10.1002/chem.201502397

Reference yield:

aminoguanidine hydrogencarbonate (2200-97-7,2582-30-1,10587-01-6,13998-67-9) + 2-oxopropanal (78-98-8) → 3-Amino-5-methyl-1,2,4-triazine (6302-68-7) + 3-amino-6-methyl-1,2,4-triazine (18915-36-1)

Guidance literature:

In phosphate buffer; pH=7.0; Title compound not separated from byproducts;

DOI:10.1021/jf010148h

upstream raw materials:

aminoguanidine hydrogencarbonate

2-oxopropanal

Trimethylboroxine

3-Amino-6-bromo-1,2,4-triazine

Downstream raw materials:

4-hydroxy-3-(4-isopropylbenzoyl)-1-(6-methyl-1,2,4-triazin-3-yl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one