4-Amino-2,6-dimethylpyrimidine

Base Information

• Chemical Name: 4-Amino-2,6-dimethylpyrimidine
• CAS No.: 461-98-3
• Molecular Formula: C6H9N3
• Molecular Weight: 123.158
• Hs Code.: 29335990
• European Community (EC) Number: 207-320-1
• NSC Number: 21637
• UNII: 3MM3JQH7MX
• DSSTox Substance ID: DTXSID50196725
• Nikkaji Number: J61B
• Wikidata: Q27257667
• Mol file: 461-98-3.mol

Synonyms:4-amino-2,6-dimethylpyrimidine

Chemical Property of 4-Amino-2,6-dimethylpyrimidine

Chemical Property:

• Appearance/Colour: Crystalline solid
• Vapor Pressure: 0.0417mmHg at 25°C
• Melting Point: 184-186 °C
• Refractive Index: 1.569
• Boiling Point: 238.7 °C at 760 mmHg
• PKA: 7.24±0.10(Predicted)
• Flash Point: 121.3 °C
• PSA: 51.80000
• Density: 1.112 g/cm³
• LogP: 1.25680
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO
• Water Solubility.: 6.4g/L(18 oC)
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 123.079647300
• Heavy Atom Count: 9
• Complexity: 94.3

Purity/Quality:

97% ^*data from raw suppliers

4-Amino-2,6-dimethylpyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-20/21/22-22
• Safety Statements: 26-36/37/39-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC(=N1)C)N

Technology Process of 4-Amino-2,6-dimethylpyrimidine

There total 23 articles about 4-Amino-2,6-dimethylpyrimidine 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: 100.0%

acetonitrile (75-05-8,26809-02-9) → 4-amino-2,6-dimethylpyrimidine (461-98-3)

Guidance literature:

With potassium tert-butylate; dihydrogen peroxide; In water; at 120 ℃; for 12h; Sealed tube;

DOI:10.1039/c5cc10245f

Reference yield: 95.0%

3-Aminocrotononitrile (1118-61-2) + acetonitrile (75-05-8,26809-02-9) → 4-amino-2,6-dimethylpyrimidine (461-98-3)

Guidance literature:

With tetramethyl ammoniumhydroxide; at 80 ℃; for 15.5h;

Reference yield: 73.0%

acetonitrile (75-05-8,26809-02-9) → 2,4,6-trimethyl-s-triazine (823-94-9) + 4-amino-2,6-dimethylpyrimidine (461-98-3)

Guidance literature:

With ammonia; yttrium(III) trifluoromethanesulfonate; at -196 - 200 ℃; for 24h;

upstream raw materials:

methanol

2,4,6-trimethyl-s-triazine

4-chloro-2,6-dimethylpyrimidine

acetonitrile

Downstream raw materials:

N-(2,6-dimethylpyrimidin-4-yl)acetamide

N-(4-chloro-phenyl)-N'-(2,6-dimethyl-pyrimidin-4-yl)-urea

4-chloro-benzoic acid-(2,6-dimethyl-pyrimidin-4-ylamide)

4-methyl-7-phenyl-pyrrolo[1,2-a]pyrimidin-2-ylamine