4-Phenyl-1-(phenylmethyl)-2(1H)-pyrimidinone

Base Information

• Chemical Name: 4-Phenyl-1-(phenylmethyl)-2(1H)-pyrimidinone
• CAS No.: 38675-25-1
• Molecular Formula: C17H14N2O
• Molecular Weight: 262.311
• DSSTox Substance ID: DTXSID001259614
• Mol file: 38675-25-1.mol

Synonyms:4-Phenyl-1-(phenylmethyl)-2(1H)-pyrimidinone;38675-25-1;DTXSID001259614

Chemical Property of 4-Phenyl-1-(phenylmethyl)-2(1H)-pyrimidinone

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 262.110613074
• Heavy Atom Count: 20
• Complexity: 401

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C=CC(=NC2=O)C3=CC=CC=C3

Technology Process of 4-Phenyl-1-(phenylmethyl)-2(1H)-pyrimidinone

There total 4 articles about 4-Phenyl-1-(phenylmethyl)-2(1H)-pyrimidinone 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%

1-benzyl-3,4-dihydro-4-phenylpyrimidin-2-(1H)-one (103594-70-3) → 1-benzyl-4-phenylpyrimidin-2(1H)-one (38675-25-1)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In benzene; for 12h; Ambient temperature;

Reference yield:

[W(CO)5(C4H2N2O(C6H5)CH2C6H5)] → 1-benzyl-4-phenylpyrimidin-2(1H)-one (38675-25-1)

Guidance literature:

With triethylamine; In 1,2-dichloro-ethane; at 80 ℃; for 24h;

DOI:10.1016/j.jorganchem.2013.09.015

Reference yield:

phenyltriisopropoxytitanium(IV) (16635-23-7) → 1-benzyl-4-phenylpyrimidin-2(1H)-one (38675-25-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 87 percent / diethyl ether; tetrahydrofuran / 24 h / 20 °C / regioselective arylation; other substrates; further reagents

2: 84 percent / DDQ / benzene / 12 h / 20 °C

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In tetrahydrofuran; diethyl ether; benzene;

DOI:10.1016/0040-4020(92)80015-8

upstream raw materials:

1-benzyl-3,4-dihydro-4-phenylpyrimidin-2-(1H)-one

phenyltriisopropoxytitanium(IV)