[2-(2,6-Dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenyl] acetate

Base Information

• Chemical Name: [2-(2,6-Dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenyl] acetate
• CAS No.: 122664-44-2
• Molecular Formula: C₂₀H₁₈N₂O₃
• Molecular Weight: 334.375
• DSSTox Substance ID: DTXSID001320782
• ChEMBL ID: CHEMBL1478374
• Mol file: 122664-44-2.mol

Synonyms:[2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenyl] acetate;2-(2,6-dimethyl-4-oxo-5-phenyl-1(4H)-pyrimidinyl)phenyl acetate;122664-44-2;Enamine_000952;Oprea1_033235;MLS001012358;CHEMBL1478374;DTXSID001320782;HMS1396L06;HMS2808N21;STK725434;AKOS001038174;SMR000425158;AE-848/36047037;Z56785598;2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1(4H)-yl)phenyl acetate;Acetic acid 2-(2,6-dimethyl-4-oxo-5-phenyl-4H-pyrimidin-1-yl)-phenyl ester

Chemical Property of [2-(2,6-Dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenyl] acetate

Chemical Property:

• Boiling Point: 487.5±55.0 °C(Predicted)
• PKA: -0.88±0.20(Predicted)
• Density: 1.18±0.1 g/cm3(Predicted)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 334.13174244
• Heavy Atom Count: 25
• Complexity: 602

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=O)N=C(N1C2=CC=CC=C2OC(=O)C)C)C3=CC=CC=C3

Technology Process of [2-(2,6-Dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenyl] acetate

There total 4 articles about [2-(2,6-Dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenyl] acetate 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: 88.0%

2,6-dimethyl-5-phenyl-1-(2'-hydroxyphenyl)-4-oxo-1,4-dihydropyrimidine (122664-41-9) + acetic anhydride (108-24-7) → 2,6-dimethyl-5-phenyl-1-(2'-acetoxyphenyl)-4-oxo-1,4-dihydropyrimidine (122664-44-2)

Guidance literature:

With perchloric acid; Heating;

Reference yield:

N-acetyl-β-phenylacetoacetamide (122664-30-6) → 2,6-dimethyl-5-phenyl-1-(2'-acetoxyphenyl)-4-oxo-1,4-dihydropyrimidine (122664-44-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 94 percent / acetic acid / 1 h / Heating

2: 88 percent / 70percent HClO₄ / Heating

With perchloric acid; In acetic acid;

Reference yield:

2-amino-phenol (95-55-6) → 2,6-dimethyl-5-phenyl-1-(2'-acetoxyphenyl)-4-oxo-1,4-dihydropyrimidine (122664-44-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 94 percent / acetic acid / 1 h / Heating

2: 88 percent / 70percent HClO₄ / Heating

With perchloric acid; In acetic acid;

upstream raw materials:

2,6-dimethyl-5-phenyl-1-(2'-hydroxyphenyl)-4-oxo-1,4-dihydropyrimidine

acetic anhydride

acetyl chloride

N-acetyl-β-phenylacetoacetamide