5-Bromo-2-chloro-4,6-dimethylpyrimidine

Base Information

• Chemical Name: 5-Bromo-2-chloro-4,6-dimethylpyrimidine
• CAS No.: 4786-72-5
• Molecular Formula: C₆H₆BrClN₂
• Molecular Weight: 221.484
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID60500576
• Wikidata: Q82352285
• Mol file: 4786-72-5.mol

Synonyms:5-Bromo-2-chloro-4,6-dimethylpyrimidine;4786-72-5;MFCD09881185;Pyrimidine, 5-bromo-2-chloro-4,6-dimethyl-;5-BROMO-2-CHLORO-4,6-DIMETHYL-PYRIMIDINE;SCHEMBL4597901;DTXSID60500576;MDZCNJHECVPINP-UHFFFAOYSA-N;AMY11476;AKOS015919990;CS-W003681;SB60725;2-Chloro-4,6-dimethyl-5-bromopyrimidine;DS-12582;SY027962;2-chloro-4,6-dimethyl-5-bromo-pyrimidine;FT-0647138;5-Bromo-2-chloro-4 pound not6-dimethylpyrimidine;A872045;J-516892;(2E)-3-(5-Fluoro-3-methyl-1H-indol-7-yl)- 2-propenoic acid

Chemical Property of 5-Bromo-2-chloro-4,6-dimethylpyrimidine

Chemical Property:

• Vapor Pressure: 0.00751mmHg at 25°C
• Refractive Index: 1.567
• Boiling Point: 277.7°Cat760mmHg
• PKA: -1.32±0.39(Predicted)
• Flash Point: 121.8°C
• PSA: 25.78000
• Density: 1.621g/cm³
• LogP: 2.50930
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 219.94029
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-2-chloro-4,6-dimethylpyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NC(=N1)Cl)C)Br
• Uses: 5-Bromo-2-chloro-4,6-dimethylpyrimidine is a pyrimidine derivative.

Technology Process of 5-Bromo-2-chloro-4,6-dimethylpyrimidine

There total 3 articles about 5-Bromo-2-chloro-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: 84.0%

5-bromo-4,6-dimethyl-1H-pyrimidin-2-one (7781-20-6) → 2-Chloro-5-bromo-4,6-dimethyl-pyrimidine (4786-72-5)

Guidance literature:

With N,N-diethylaniline; trichlorophosphate; for 8h; Heating / reflux;

Reference yield: 70.0%

5-bromo-4,6-dimethyl-2(1H)-pyrimidinone (7781-20-6) → 2-Chloro-5-bromo-4,6-dimethyl-pyrimidine (4786-72-5)

Guidance literature:

With trichlorophosphate; In N,N-dimethyl-formamide;

Reference yield:

→ 2-Chloro-5-bromo-4,6-dimethyl-pyrimidine (4786-72-5)

Guidance literature:

5-Brom-4,6-dimethylpyrimidin-2-ol, Phosphorylchlorid, N,N-Diethylanilin, Δ;

upstream raw materials:

5-bromo-4,6-dimethyl-2(1H)-pyrimidinone

5-bromo-4,6-dimethyl-1H-pyrimidin-2-one

Downstream raw materials:

4,6-dimethylpyrimidine-5-carboxylic acid

4,6-dimethyl-5-bromopyrimidine