5-Bromo-4,6-dichloropyrimidine

Base Information

• Chemical Name: 5-Bromo-4,6-dichloropyrimidine
• CAS No.: 68797-61-5
• Molecular Formula: C4HBrCl2N2
• Molecular Weight: 227.875
• Hs Code.: 29339900
• European Community (EC) Number: 272-305-9
• DSSTox Substance ID: DTXSID6071748
• Nikkaji Number: J308.310A
• Wikidata: Q72454169
• Mol file: 68797-61-5.mol

Synonyms:5-Bromo-4,6-dichloropyrimidine;68797-61-5;Pyrimidine, 5-bromo-4,6-dichloro-;5-bromo-4,6-dichloro-pyrimidine;C4HBrCl2N2;EINECS 272-305-9;MFCD00047379;C4-H-Br-Cl2-N2;AMY483;SCHEMBL2128819;DTXSID6071748;AC-161;BBL102776;STL556582;AKOS000282944;PS-4078;5-Bromo-4,6-dichloropyrimidine, 97%;SY006162;A9140;CS-0044146;FT-0648687;EN300-107356;J-517061;Z1269195590

Chemical Property of 5-Bromo-4,6-dichloropyrimidine

Chemical Property:

• Vapor Pressure: 0.00282mmHg at 25°C
• Melting Point: 83-85
• Refractive Index: 1.604
• Boiling Point: 294.601 °C at 760 mmHg
• PKA: -5.72±0.26(Predicted)
• Flash Point: 131.97 °C
• PSA: 25.78000
• Density: 1.965 g/cm³
• LogP: 2.54590
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 225.87002
• Heavy Atom Count: 9
• Complexity: 92.6

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Bromo-4,6-dichloropyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,T
• Hazard Codes: Xi,T
• Statements: 25-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=NC(=C(C(=N1)Cl)Br)Cl

Technology Process of 5-Bromo-4,6-dichloropyrimidine

There total 1 articles about 5-Bromo-4,6-dichloropyrimidine 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:

5-bromo-1H-pyrimidine-4,6-dione (52176-13-3) → 5-bromo-4,6-dichloropyrimidine (68797-61-5)

Guidance literature:

With N,N-dimethyl-aniline; trichlorophosphate;

Reference yield: 61.2%

5-bromo-4,6-dichloropyrimidine (68797-61-5) + cyclohexylboronic acid (4441-56-9) → 4,6-dichloro-5-cyclohexylpyrimidine (285139-92-6)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In ethanol; water; toluene; at 120 ℃; for 12h; Inert atmosphere;

Reference yield: 46.0%

5-bromo-4,6-dichloropyrimidine (68797-61-5) + phenylboronic acid (98-80-6) → 4,5,6-triphenylpyrimidine (71418-92-3)

Guidance literature:

With sodium carbonate; bis(triphenylphosphine)palladium(II) dichloride; Pd(PPh₃)2Cl₂; In dichloromethane; water; ethyl acetate; acetonitrile;

upstream raw materials:

5-bromo-1H-pyrimidine-4,6-dione

Downstream raw materials:

5-bromo-4-chloro-6-((4-methoxybenzyl)oxy)pyrimidine

4,5,6-triphenylpyrimidine

5-bromo-4,6-dimethoxypyrimidine

4,6-dichloro-5-cyclohexylpyrimidine