1-Methyl-5-phenylpyrazin-2(1H)-one

Base Information

• Chemical Name: 1-Methyl-5-phenylpyrazin-2(1H)-one
• CAS No.: 78174-93-3
• Molecular Formula: C11H10N2O
• Molecular Weight: 186.213
• DSSTox Substance ID: DTXSID50506062
• Nikkaji Number: J1.024.518D
• Wikidata: Q82361626

Synonyms:1-Methyl-5-phenylpyrazin-2(1H)-one;78174-93-3;DTXSID50506062

Chemical Property of 1-Methyl-5-phenylpyrazin-2(1H)-one

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 186.079312947
• Heavy Atom Count: 14
• Complexity: 288

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C(N=CC1=O)C2=CC=CC=C2

Technology Process of 1-Methyl-5-phenylpyrazin-2(1H)-one

There total 2 articles about 1-Methyl-5-phenylpyrazin-2(1H)-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: 73.0%

6-phenyl-3(2H)-pyridazinone (25844-72-8) → 1-methyl-5-phenylpyrazin-2(1H)-one (78174-93-3)

Guidance literature:

6-phenyl-3(2H)-pyridazinone; With sodium hydride; In tetrahydrofuran; N,N-dimethyl-formamide; mineral oil; at 0 ℃; for 0.25h; Inert atmosphere;

methyl halide; With tetra-(n-butyl)ammonium iodide; In tetrahydrofuran; N,N-dimethyl-formamide; mineral oil; at 0 - 20 ℃; for 3h; Inert atmosphere;

DOI:10.1002/anie.202010958

Reference yield:

dimethyl sulfate (77-78-1) + 2-hydroxy-5-phenylpyrazine (25844-72-8) → 1-methyl-5-phenylpyrazin-2(1H)-one (78174-93-3) + 5-methoxy-2-phenylpyrazine

Guidance literature:

With sodium methylate; In methanol; for 1h; Heating;

Reference yield: 96.0%

trimethylsulfoxonium iodide (1774-47-6) + 1-methyl-5-phenylpyrazin-2(1H)-one (78174-93-3) → C12H8(2)H4N2O

Guidance literature:

With water-d2; potassium hydroxide; at 100 ℃; for 2h; Sealed tube;

DOI:10.1002/anie.202010958

upstream raw materials:

dimethyl sulfate

2-hydroxy-5-phenylpyrazine

6-phenyl-3(2H)-pyridazinone

Downstream raw materials:

(1S,4S)-5-Methyl-8-phenyl-2,3-dioxa-5,7-diaza-bicyclo[2.2.2]oct-7-en-6-one

5-Methyl-8-phenyl-2,3-dioxa-5,7-diaza-bicyclo[2.2.2]oct-7-en-6-one

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