2-Bromo-4,6-dimethylpyrimidine

Base Information

• Chemical Name: 2-Bromo-4,6-dimethylpyrimidine
• CAS No.: 16879-39-3
• Molecular Formula: C6H7BrN2
• Molecular Weight: 187.039
• Hs Code.: 2933599090
• European Community (EC) Number: 866-357-7
• DSSTox Substance ID: DTXSID30509132
• Wikidata: Q82366503
• Mol file: 16879-39-3.mol

Synonyms:2-Bromo-4,6-dimethylpyrimidine

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

Chemical Property:

• Vapor Pressure: 0.00662mmHg at 25°C
• Melting Point: 71-72 °C
• Refractive Index: 1.551
• Boiling Point: 279.9°Cat760mmHg
• PKA: -0.04±0.30(Predicted)
• Flash Point: 123.1°C
• PSA: 25.78000
• Density: 1.5g/cm³
• LogP: 1.85590
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 185.97926
• Heavy Atom Count: 9
• Complexity: 87.1

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-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)Br)C

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

There total 5 articles about 2-Bromo-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: 48.0%

2-(ω-bromobutylthio)-4,6-dimethylpyrimidine (15018-33-4) → 2-bromo-4,6-dimethylpyrimidine (16879-39-3) + 2-(ω-hydroxybutylthio)-4,6-dimethylpyrimidine

Guidance literature:

In benzonitrile; at 100 ℃; for 20h;

DOI:10.1007/BF00963694

Reference yield:

2-(ω-bromobutylthio)-4,6-dimethylpyrimidine (15018-33-4) → thiophene (110-01-0) + 1,4-dibromo-butane (110-52-1) + 2-bromo-4,6-dimethylpyrimidine (16879-39-3) + 1,4-bis(4',6'-dimethylpyrimidinyl-2'-thio)butane (14961-47-8)

Guidance literature:

at 165 - 205 ℃; under 15 Torr; Further byproducts given;

DOI:10.1007/BF00963694

Reference yield:

2-bromo-4,6-dimethylpyrimidine hydrobromide → 2-bromo-4,6-dimethylpyrimidine (16879-39-3)

Guidance literature:

With sodium; In methanol;

DOI:10.1007/BF00963694

upstream raw materials:

2-(ω-bromobutylthio)-4,6-dimethylpyrimidine

2-(ω-bromopentylthio)-4,6-dimethylpyrimidine

Downstream raw materials:

4,6-Dimethyl-2-pyrimidinylacetic acid ethyl ester

4,6-dimethyl-2-pyrimidinecarboxaldehyde

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