2-Acetyl-5-methylpyrazine

Base Information

• Chemical Name: 2-Acetyl-5-methylpyrazine
• CAS No.: 22047-27-4
• Molecular Formula: C7H8N2O
• Molecular Weight: 136.153
• Hs Code.: 2933990090
• European Community (EC) Number: 865-745-3
• UNII: X6TS3KS3X3
• DSSTox Substance ID: DTXSID10176523
• Nikkaji Number: J620.078H
• Wikidata: Q83046846
• Mol file: 22047-27-4.mol

Synonyms:22047-27-4;1-(5-methylpyrazin-2-yl)ethanone;2-ACETYL-5-METHYLPYRAZINE;1-(5-METHYL-PYRAZIN-2-YL)-ETHANONE;1-(5-METHYLPYRAZIN-2-YL)ETHAN-1-ONE;1-(5-Methyl-2-pyrazinyl)ethanone;Ethanone, 1-(5-methylpyrazinyl)-;1-(5-Methyl-2-pyrazinyl)-1-ethanone;X6TS3KS3X3;5-Methyl-2-acetylpyrazine;2-Acetyl-5-methylpyrazin;UNII-X6TS3KS3X3;Pyrazine, 2-acetyl-5-methyl;Pyrazine, 5-acetyl-2-methyl;SCHEMBL1608749;DTXSID10176523;2-METHYL-5-ACETYLPYRAZINE;XAA04727;MFCD00055037;AKOS022903040;1-(5-methylpyrazin-2-yl)-1-ethanone;AB02269;1-(5-Methyl-2-pyranizyl)-1-ethanone;KETONE, METHYL 5-METHYLPYRAZINYL;AS-37062;CS-0318294;EN300-218637;ETHANONE, 1-(5-METHYL-2-PYRAZINYL)-

Chemical Property of 2-Acetyl-5-methylpyrazine

Chemical Property:

• Melting Point: 55-56 °C
• Boiling Point: 229.3 °C at 760 mmHg
• PKA: 0.98±0.10(Predicted)
• Flash Point: 95.2 °C
• PSA: 42.85000
• Density: 1.1 g/cm³
• LogP: 0.98760
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• 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

1-(5-Methyl-pyrazin-2-yl)-ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN=C(C=N1)C(=O)C
• Uses: 1-(5-Methyl-pyrazin-2-yl)-ethanone can be used for analysis of aroma components from sugarcane to non-?centrifugal cane sugar using GC-?O-?MS.

Technology Process of 2-Acetyl-5-methylpyrazine

There total 16 articles about 2-Acetyl-5-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: 86.0%

N-methoxy-N,5-dimethylpyrazine-2-carboxamide (317335-27-6) + methyllithium (917-54-4) → 1-(5-methylpyrazin-2-yl)ethanone (22047-27-4)

Guidance literature:

In tetrahydrofuran; diethyl ether; at -78 ℃; for 2.5h;

Reference yield: 62.0%

N-methoxy-N,5-dimethylpyrazine-2-carboxamide (317335-27-6) + methylmagnesium bromide (75-16-1) → 1-(5-methylpyrazin-2-yl)ethanone (22047-27-4)

Guidance literature:

In tetrahydrofuran; diethyl ether; at 0 - 25 ℃; for 1h;

Reference yield: 61.0%

methyl magnesium iodide (917-64-6) + 5-methylpyrazine-2-carbonitrile (98006-91-8) → 1-(5-methylpyrazin-2-yl)ethanone (22047-27-4)

Guidance literature:

In tetrahydrofuran; diethyl ether; at -15 - -10 ℃; for 1h;

upstream raw materials:

2-isopentyl-5-acetylpyrazine

2-isopentyl-5-(3,3-dimethyl-1-oxobutyl)pyrazine

N-methoxy-N,5-dimethylpyrazine-2-carboxamide

methyllithium

Downstream raw materials:

4-(5-methylpyrazin-2-yl)-2, 4-dioxobutanoic acid ethyl ester

2-bromo-1-(5-methylpyrazin-2-yl)ethanone

C₁₄H₁₅N₃O₃S

Refernces

• 1、 -. "1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES". Page/Page column 367. . Retrieved 2016/07/05.
• 2、 -. "1H-pyrrole-2,4-dicarbonyl-derivatives and their use as flavoring agents". . . Retrieved 2015/03/03.