2-Ethynyl-4,6-dimethylpyrimidine

Base Information

• Chemical Name: 2-Ethynyl-4,6-dimethylpyrimidine
• CAS No.: 86520-99-2
• Molecular Formula: C8H8N2
• Molecular Weight: 132.16300
• Hs Code.: 2933599090
• European Community (EC) Number: 863-963-3
• Nikkaji Number: J3.246.576E
• Mol file: 86520-99-2.mol

Synonyms:2-Ethynyl-4,6-dimethylpyrimidine;86520-99-2;PYRIMIDINE, 2-ETHYNYL-4,6-DIMETHYL- (9CI);starbld0047211;MFCD22371718;AKOS026718983;AT18277;BS-47969;CS-0230197;EN300-102692;F2167-2850

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

Chemical Property:

• Melting Point: 120-121 °C
• Boiling Point: 264.0±43.0 °C(Predicted)
• PKA: 0.98±0.30(Predicted)
• PSA: 25.78000
• Density: 1.05±0.1 g/cm3(Predicted)
• LogP: 1.07470
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 132.068748264
• Heavy Atom Count: 10
• Complexity: 146

Purity/Quality:

95% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 3 articles about 2-Ethynyl-4,6-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: 64.0%

4,6-Dimethyl-2-trimethylsilanylethynyl-pyrimidine (86521-14-4) → 2-ethynyl-4,6-dimethylpyrimidine (86520-99-2)

Guidance literature:

With potassium hydroxide; In methanol; for 1h; Ambient temperature;

DOI:10.1055/s-1983-30319

Reference yield:

2-chloro-4,6-dimethylpyrimidine (4472-44-0) → 2-ethynyl-4,6-dimethylpyrimidine (86520-99-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 78 percent / bispalladium dichloride, copper(I) iodide, triethylamine / 6 h / 100 °C

2: 64 percent / aq. KOH / methanol / 1 h / Ambient temperature

With bis-triphenylphosphine-palladium(II) chloride; potassium hydroxide; copper(l) iodide; triethylamine; In methanol;

DOI:10.1055/s-1983-30319

Reference yield:

2-iodo-4,6-dimethylpyrimidine (16879-40-6) → 2-ethynyl-4,6-dimethylpyrimidine (86520-99-2)

Guidance literature:

Multi-step reaction with 2 steps

2: potassium carbonate; methanol

With methanol; potassium carbonate; 1: |Sonogashira Cross-Coupling;

DOI:10.1016/j.jorganchem.2013.07.045

upstream raw materials:

4,6-Dimethyl-2-trimethylsilanylethynyl-pyrimidine

2-chloro-4,6-dimethylpyrimidine

2-iodo-4,6-dimethylpyrimidine

Downstream raw materials:

2-acetyl-4,6-dimethylpyrimidine

4-[4-(4,6-dimethylpyrimidin-2-yl)-1H-1,2,3-triazol-1-yl]-N,N-dimethylaniline