Pyrimidine, 4-(4-methylphenyl)-

Base Information

• Chemical Name: Pyrimidine, 4-(4-methylphenyl)-
• CAS No.: 99984-58-4
• Molecular Formula: C11H10N2
• Molecular Weight: 170.214
• DSSTox Substance ID: DTXSID30403383
• Nikkaji Number: J1.279.083J
• Wikidata: Q82207035
• Mol file: 99984-58-4.mol

Synonyms:Pyrimidine, 4-(4-methylphenyl)-;99984-58-4;6-p-tolylpyrimidine;4-P-TOLYL-PYRIMIDINE;SCHEMBL2562967;DTXSID30403383;AKOS024326570

Chemical Property of Pyrimidine, 4-(4-methylphenyl)-

Chemical Property:

• PSA: 25.78000
• LogP: 2.45200
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 170.084398327
• Heavy Atom Count: 13
• Complexity: 150

Purity/Quality:

99%min. ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=NC=NC=C2

Technology Process of Pyrimidine, 4-(4-methylphenyl)-

There total 17 articles about Pyrimidine, 4-(4-methylphenyl)- 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: 85.0%

4‐methylacetophenone oxime acetate (96475-75-1) + trimethyl orthoformate (149-73-5) → 4-(4-methylphenyl)pyrimidine (99984-58-4)

Guidance literature:

With ammonium acetate; In toluene; at 130 ℃; for 12h; Sealed tube;

DOI:10.1016/j.tetlet.2018.05.023

Reference yield: 84.0%

1,3,5-Triazine (290-87-9) + para-methylacetophenone (122-00-9) → 4-(4-methylphenyl)pyrimidine (99984-58-4)

Guidance literature:

With morpholine; triethylamine; In methanol; at 90 ℃; for 72h; regioselective reaction;

DOI:10.1039/c5ra16995j

Reference yield: 81.0%

6-p-tolylpyrimidine 1-oxide → 4-(4-methylphenyl)pyrimidine (99984-58-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ammonium hydroxide;

DOI:10.1002/anie.200602773

upstream raw materials:

PYRIMIDINE

p-tolyllithium

para-methylacetophenone

3-methyl-5-nitro-4(3H)-pyrimidinone

Downstream raw materials:

4-p-tolylpyrimidine-2-carboxylic acid

N-[3-fluoro-4-[[6-methoxy-7-[3-(4-morpholinyl)propoxy]quinoline-4-yl]oxy]phenyl]-4-(4-methylphenyl)pyrimidine-2-carboxamide

N-[3-fluoro-4-[[6-methoxy-7-[3-(1-piperidinyl)propoxy]quinoline-4-yl]oxy]phenyl]-4-(4-methylphenyl)pyrimidine-2-carboxamide

N-[3-fluoro-4-[[6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]quinoline-4-yl]oxy]phenyl]-4-(4-methylphenyl)pyrimidine-2-carboxamide