2-Acetyl-3-methylpyrazine

Base Information

• Chemical Name: 2-Acetyl-3-methylpyrazine
• CAS No.: 23787-80-6
• Molecular Formula: C7H8N2O
• Molecular Weight: 136.153
• Hs Code.: 29339900
• European Community (EC) Number: 245-889-8
• UNII: 7U5TEW2Y2B
• DSSTox Substance ID: DTXSID7066932
• Nikkaji Number: J364.475H
• Wikidata: Q27268853
• Metabolomics Workbench ID: 44152
• Mol file: 23787-80-6.mol

Synonyms:2-ACETYL-3-METHYLPYRAZINE;23787-80-6;1-(3-methylpyrazin-2-yl)ethanone;1-(3-methylpyrazin-2-yl)ethan-1-one;Ethanone, 1-(3-methylpyrazinyl)-;2-Methyl-3-acetylpyrazine;1-(3-Methylpyrazinyl)ethan-1-one;2-Acetyl-3-methyl pyrazine;Ethanone, 1-(methylpyrazinyl)-;MFCD00014612;3-Acetyl-2-methylpyrazine;UNII-7U5TEW2Y2B;Ethanone, 1-(3-methyl-2-pyrazinyl)-;7U5TEW2Y2B;Pyrazine, 2-acetyl-3-methyl;Pyrazine, 3-acetyl-2-methyl;1-(3-Methyl-2-pyrazinyl)ethanone;EINECS 245-889-8;1-(3-methyl-pyrazin-2-yl)-ethanone;1-[3-Methyl-2-pyrazinyl]-1-ethanone;acetyl-3-methylpyrazine, 2-;SCHEMBL335305;DTXSID7066932;1-(3-Methylpyrazinyl)-Ethanone;CHEBI:166500;AMY23203;1-(3-Methylpyrazinyl)ethanone, 9CI;2-Acetyl-3-methylpyrazine, >=98%;AKOS005256386;Etanona, 1-(3-metil-2-pirazinil)-;CS-W017756;Methyl (3-methylpyrazinyl) ketone, 8CI;2-ACETYL-3-METHYLPYRAZINE [FHFI];AC-16260;SY027476;TS-01755;2-Acetyl-3-methylpyrazine, >=98%, FG;FT-0610952;D81739;EN300-136763;A816905;Q-100306;Q27268853;3-amino-5-methyl-1H-pyrazole-4-carboxylic acid;1-(3-Methylpyrazin-2-yl)ethanone

Chemical Property of 2-Acetyl-3-methylpyrazine

Chemical Property:

• Appearance/Colour: Clear slightly yellow liquid.
• Vapor Pressure: 0.105mmHg at 25°C
• Melting Point: 90oC (20 torr)
• Refractive Index: n20/D 1.521(lit.)
• Boiling Point: 221.8 °C at 760 mmHg
• PKA: 0.56±0.10(Predicted)
• Flash Point: 90.3 °C
• PSA: 42.85000
• Density: 1.11 g/cm³
• LogP: 0.98760
• Storage Temp.: 0-6°C
• Sensitive.: Light Sensitive
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 136.063662883
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

2-Acetyl-3-methylpyrazine >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=CN=C1C(=O)C
• Description: 2-Acetyl-3-methylpyrazine has a roasted, nutty, grain-roasted potato odor. It is one of the most important pyrazines for hazelnut or filbert nut flavors. The flavor is less burnt than most of the pyrazines.

Technology Process of 2-Acetyl-3-methylpyrazine

There total 2 articles about 2-Acetyl-3-methylpyrazine 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:

2-methyl-3-ethylpyrazine (15707-23-0) → methyl 2-(3-methylpyrazinyl) ketone (23787-80-6)

Guidance literature:

With tert.-butylhydroperoxide; iron(III) chloride; 1,10-Phenanthroline; propionic acid; at 65 - 75 ℃; for 24h; Reagent/catalyst; Temperature;

Reference yield:

→ methyl 2-(3-methylpyrazinyl) ketone (23787-80-6)

Guidance literature:

rohes /BRN= 636815/, 2-Nitropropan, NaOEt;

DOI:10.1021/jo00968a047

Reference yield: 95.0%

4-chlorobenzaldehyde (104-88-1) + methyl 2-(3-methylpyrazinyl) ketone (23787-80-6) → (E)-3-(4-chlorophenyl)-1-(3-methylpyrazin-2-yl)prop-2-en-1-one (1433999-43-9)

Guidance literature:

With potassium carbonate; In neat (no solvent); at 70 ℃; for 0.133333h; under 15001.5 Torr; Microwave irradiation;

DOI:10.1039/c3nj00308f

upstream raw materials:

2-methyl-3-ethylpyrazine

Downstream raw materials:

methyl 2-[1-(3-methyl-2-pyrazinyl)ethylidene]hydrazinecarbodithioate

C₁₃H₁₁FN₂O

(E)-3-(4-fluorophenyl)-1-(3-methylpyrazine-2-yl)prop-2-en-1-one

(E)-3-(4-chlorophenyl)-1-(3-methylpyrazin-2-yl)prop-2-en-1-one

Refernces

• 1、 -. "Method for synthesizing 2-acetyl-3-methylpyrazine". Paragraph 0015; 0016; 0017; 0018; 0019. . Retrieved 2019/05/02.
• 2、 -. "Imidazo[1,2-a]pyridine-ylmethyl-derivatives and their use as flavoring agents". . . Retrieved 2015/03/03.