3-(2-Methylpropyl)-5-phenyl-2(1H)-pyrazinone

Base Information

• Chemical Name: 3-(2-Methylpropyl)-5-phenyl-2(1H)-pyrazinone
• CAS No.: 128972-00-9
• Molecular Formula: C₁₄H₁₆N₂O
• Molecular Weight: 228.294
• DSSTox Substance ID: DTXSID50363718
• Nikkaji Number: J343.476A
• Wikidata: Q82147457
• Mol file: 128972-00-9.mol

Synonyms:128972-00-9;3-(2-METHYLPROPYL)-5-PHENYL-2(1H)-PYRAZINONE;3-(2-methylpropyl)-5-phenyl-1H-pyrazin-2-one;3-Isobutyl-5-phenylpyrazin-2(1H)-one;SCHEMBL7322827;DTXSID50363718;3-(2-Methylpropyl)-5-phenylpyrazin-2(1H)-one

Chemical Property of 3-(2-Methylpropyl)-5-phenyl-2(1H)-pyrazinone

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 228.126263138
• Heavy Atom Count: 17
• Complexity: 349

Purity/Quality:

98% ^*data from raw suppliers

3-(2-METHYLPROPYL)-5-PHENYL-2(1H)-PYRAZINONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CC1=NC(=CNC1=O)C2=CC=CC=C2

Technology Process of 3-(2-Methylpropyl)-5-phenyl-2(1H)-pyrazinone

There total 4 articles about 3-(2-Methylpropyl)-5-phenyl-2(1H)-pyrazinone 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: 67.0%

4-methyl-2-oxo-N-(2-oxo-2-phenylethyl)pentanamide (128972-02-1) → 3-(2-methylpropyl)-5-phenyl-2(1H)-pyrazinone (128972-00-9)

Guidance literature:

With ammonium acetate; In ethanol; for 3.5h; Heating;

DOI:10.1021/jm00171a005

Reference yield: 36.0%

2-Amino-4-methyl-pentanoic acid amide (13079-20-4) + 2,2-dihydroxy-1-phenyl-ethanone (1075-06-5) → 3-(2-methylpropyl)-6-phenyl-2(1H)-pyrazinone (13162-85-1) + 3-(2-methylpropyl)-5-phenyl-2(1H)-pyrazinone (128972-00-9)

Guidance literature:

With sodium hydroxide; In methanol; 1.) -40 deg C, 2 h, 2.) RT, 1 h;

Reference yield:

2-aminoacetophenone hydrochloride (5468-37-1) → 3-(2-methylpropyl)-5-phenyl-2(1H)-pyrazinone (128972-00-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) 1,3-dicyclohexylcarbodiimide (DCC), 2.) 1-hydroxybenzotriazole hydrate (HOBT) / CH₂Cl₂

2: 67 percent / ammonium acetate / ethanol / 3.5 h / Heating

With ammonium acetate; 1-hydroxybenzotriazol-hydrate; dicyclohexyl-carbodiimide; In ethanol; dichloromethane;

DOI:10.1021/jm00171a005

upstream raw materials:

2-Amino-4-methyl-pentanoic acid amide

2,2-dihydroxy-1-phenyl-ethanone

4-methyl-2-oxo-N-(2-oxo-2-phenylethyl)pentanamide

2-aminoacetophenone hydrochloride

Downstream raw materials:

(1S,2S)-2-<(8-isobutyl-6-phenyl-1,2,4-triazolo<4,3-a>pyrazin-3-yl)acetamido>-1,3-dicyclohexyl-1-hydroxypropane

(8-isobutyl-6-phenyl-1,2,4-triazolo<4,3-a>pyrazin-3-yl)acetic acid

(3S,4S)-5-Cyclohexyl-3-hydroxy-4-[2-(8-isobutyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-acetylamino]-pentanoic acid {(S)-3-methyl-1-[(pyridin-2-ylmethyl)-carbamoyl]-butyl}-amide

(1S,2S)-2-<(2RS)-2-(8-isobutyl-6-phenyl-1,2,4-triazolo<4,3-a>pyrazin-3-yl)-3-imidazol-4-yl propionamido>-1,3-dicyclohexyl-1-hydroxypropane