2-Amino-4-(4-methylphenyl)pyrimidine

Base Information

• Chemical Name: 2-Amino-4-(4-methylphenyl)pyrimidine
• CAS No.: 263276-44-4
• Molecular Formula: C₁₁H₁₁N₃
• Molecular Weight: 185.228
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID20370696
• Wikidata: Q82157829
• Mol file: 263276-44-4.mol

Synonyms:263276-44-4;2-Amino-4-(4-methylphenyl)pyrimidine;4-(p-tolyl)pyrimidin-2-amine;4-(4-methylphenyl)pyrimidin-2-amine;2-AMINO-4-(P-TOLYL)PYRIMIDINE;MFCD00665911;2-Pyrimidinamine, 4-(4-methylphenyl)-;4-p-tolylpyrimidin-2-amine;SCHEMBL2994671;DTXSID20370696;AKOS000123974;PS-8492;SB55564;AC-33857;CS-10725;CS-0132387;FT-0692322;EN300-217372;A877262;Z363993214

Chemical Property of 2-Amino-4-(4-methylphenyl)pyrimidine

Chemical Property:

• Vapor Pressure: 7.92E-07mmHg at 25°C
• Refractive Index: 1.619
• Boiling Point: 406.8°Cat760mmHg
• PKA: 3.87±0.10(Predicted)
• Flash Point: 228.8°C
• PSA: 51.80000
• Density: 1.159g/cm³
• LogP: 2.61540
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 185.095297364
• Heavy Atom Count: 14
• Complexity: 175

Purity/Quality:

97% ^*data from raw suppliers

2-Amino-4-(4-methylphenyl)pyrimidine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=NC(=NC=C2)N

Technology Process of 2-Amino-4-(4-methylphenyl)pyrimidine

There total 2 articles about 2-Amino-4-(4-methylphenyl)pyrimidine 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:

3-dimethylamino-1-(4-methyl-phenyl)-2-propen-1-one (18103-98-5) + guanidine nitrate (506-93-4) → 4-(p-tolyl)pyrimidin-2-amine (263276-44-4)

Guidance literature:

With sodium hydroxide; In butan-1-ol; for 12h; Reflux;

DOI:10.1016/j.ejmech.2017.01.026

Reference yield:

guanidine nitrate (506-93-4) → 4-(p-tolyl)pyrimidin-2-amine (263276-44-4)

Guidance literature:

With ethanol;

Reference yield:

4-(p-tolyl)pyrimidin-2-amine (263276-44-4) + 5-bromo-1-methyl-1H-indole-3-carbaldehyde (10102-94-0) → (E)-3-((1-methyl-5-((4-(p-tolyl)pyrimidin-2-yl)amino)-1H-indol-3-yl)methylene)indolin-2-one

Guidance literature:

Multi-step reaction with 2 steps

1: copper(l) iodide; caesium carbonate; N,N`-dimethylethylenediamine / 1,4-dioxane / 20 h / 80 °C / Inert atmosphere

2: piperidine / ethanol / 6 h / Reflux

With piperidine; copper(l) iodide; caesium carbonate; N,N`-dimethylethylenediamine; In 1,4-dioxane; ethanol; 1: |Ullmann Condensation / 2: |Knoevenagel Condensation;

DOI:10.1016/j.bmcl.2016.05.019

upstream raw materials:

guanidine nitrate

3-dimethylamino-1-(4-methyl-phenyl)-2-propen-1-one