4-Bromo-6-phenylpyrimidine

Base Information

• Chemical Name: 4-Bromo-6-phenylpyrimidine
• CAS No.: 34916-25-1
• Molecular Formula: C10H7BrN2
• Molecular Weight: 235.08000
• Hs Code.: 2933599090
• European Community (EC) Number: 899-535-8
• DSSTox Substance ID: DTXSID80574931
• Nikkaji Number: J1.634.490G
• Wikidata: Q82464121
• Mol file: 34916-25-1.mol

Synonyms:4-Bromo-6-phenylpyrimidine;34916-25-1;DTXSID80574931;AKOS015942868;MB09518;EN300-154416;Z1269131402

Chemical Property of 4-Bromo-6-phenylpyrimidine

Chemical Property:

• Boiling Point: 336.1±22.0 °C(Predicted)
• PKA: -0.71±0.17(Predicted)
• PSA: 25.78000
• Density: 1.493±0.06 g/cm3(Predicted)
• LogP: 2.90610
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 233.97926
• Heavy Atom Count: 13
• Complexity: 157

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-6-phenylpyrimidine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=NC=N2)Br

Technology Process of 4-Bromo-6-phenylpyrimidine

There total 1 articles about 4-Bromo-6-phenylpyrimidine 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: 56.0%

4,6-dibromopyrimidine (36847-10-6) + phenylboronic acid (98-80-6) → 4,6-diphenylpyrimidine (3977-48-8) + 6-bromo-4-phenylpyrimidine (34916-25-1)

Guidance literature:

With sodium carbonate; tetrakis-(triphenylphosphino)-palladium⁽⁰⁾; In 1,2-dimethoxyethane; for 32h; Heating;

DOI:10.1021/jo010573+

Reference yield:

methylamine (74-89-5) + 6-bromo-4-phenylpyrimidine (34916-25-1) → 6-(methylamino)-4-phenylpyrimidine

Guidance literature:

With phenyllithium; In diethyl ether; at -75 ℃; for 0.333333h;

upstream raw materials:

4,6-dibromopyrimidine

phenylboronic acid

Refernces