2,3-Dimethyl-6-phenylpyrimidin-4(3H)-one

Base Information

• Chemical Name: 2,3-Dimethyl-6-phenylpyrimidin-4(3H)-one
• CAS No.: 86421-66-1
• Molecular Formula: C12H12N2O
• Molecular Weight: 200.24
• DSSTox Substance ID: DTXSID20522158
• Wikidata: Q82387185

Synonyms:86421-66-1;2,3-Dimethyl-6-phenylpyrimidin-4(3H)-one;SCHEMBL8767485;DTXSID20522158

Chemical Property of 2,3-Dimethyl-6-phenylpyrimidin-4(3H)-one

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 200.094963011
• Heavy Atom Count: 15
• Complexity: 325

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=CC(=O)N1C)C2=CC=CC=C2

Technology Process of 2,3-Dimethyl-6-phenylpyrimidin-4(3H)-one

There total 4 articles about 2,3-Dimethyl-6-phenylpyrimidin-4(3H)-one 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:

methanol (67-56-1) + 3,6-dimethyl-2-phenylpyrimidine-4(3H)-one (20959-22-2) → N-((E)-2-Methylcarbamoyl-1-phenyl-vinyl)-acetimidic acid methyl ester (86421-82-1) + 2,3-dimethyl-6-phenyl-4(3H)-pyrimidinone (86421-66-1)

Guidance literature:

With sodium methylate; at 20 ℃; for 3h; Yield given. Yields of byproduct given; Irradiation;

DOI:10.1021/jo00165a025

Reference yield:

N-((Z)-2-Methylcarbamoyl-1-phenyl-vinyl)-acetimidic acid methyl ester (86421-83-2) → 2,3-dimethyl-6-phenyl-4(3H)-pyrimidinone (86421-66-1)

Guidance literature:

With sodium methoxide-d3; In d⁽⁴⁾-methanol; Product distribution; other substit.;

DOI:10.1021/jo00165a025

Reference yield:

2-methyl-6-phenylpyrimidin-4(3H)-one (62260-39-3) + methyl iodide (74-88-4) → 2,3-dimethyl-6-phenyl-4(3H)-pyrimidinone (86421-66-1)

Guidance literature:

With potassium carbonate;

DOI:10.1080/10426509608545132

upstream raw materials:

methanol

3,6-dimethyl-2-phenylpyrimidine-4(3H)-one

N-((Z)-2-Methylcarbamoyl-1-phenyl-vinyl)-acetimidic acid methyl ester

2-methyl-6-phenylpyrimidin-4(3H)-one

Downstream raw materials:

4-phenyl-1,2,6-trimethylpyrimidinium-5-carboxylate

3,6-dimethyl-2-phenylpyrimidine-4(3H)-one

N-((E)-1-Methyl-2-methylcarbamoyl-vinyl)-benzimidic acid methyl ester

1,2-Dimethyl-5-phenyl-2,6-diaza-bicyclo[2.2.0]hex-5-en-3-one

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