2-Acetyl-3,5-dimethylpyrazine

Base Information

• Chemical Name: 2-Acetyl-3,5-dimethylpyrazine
• CAS No.: 54300-08-2
• Molecular Formula: C8H10N2O
• Molecular Weight: 150.18
• Hs Code.: 2933990090
• European Community (EC) Number: 259-076-0
• UNII: RES1FSY5Z7
• DSSTox Substance ID: DTXSID1068938
• Nikkaji Number: J266.851C
• Wikidata: Q27288078
• Metabolomics Workbench ID: 48761
• Mol file: 54300-08-2.mol

Synonyms:2-Acetyl-3,5-dimethylpyrazine;54300-08-2;1-(3,5-dimethylpyrazin-2-yl)ethanone;Ethanone, 1-(3,5-dimethylpyrazinyl)-;1-(3,5-dimethylpyrazin-2-yl)ethan-1-one;1-(3,5-Dimethylpyrazinyl)ethan-1-one;EINECS 259-076-0;UNII-RES1FSY5Z7;RES1FSY5Z7;Ethanone, 1-(3,5-dimethyl-2-pyrazinyl)-;2-Acetyl-3,5-dimethyl pyrazine;Pyrazine, 2-acetyl-3,5-dimethyl;1-(3,5-Dimethyl-2-pyrazinyl)-1-ethanone;MFCD00055023;2-Acetyl-3,5-dimethylpyrazine (contains 2-Acetyl-3,6-dimethylpyrazine);SCHEMBL2491805;DTXSID1068938;CHEBI:173403;1-(3,5-Dimethylpyrazinyl)ethanone;1-(3,5-Dimethylpyrazinyl)-Ethanone;AKOS015900064;CS-W018142;1-(3,5-Dimethyl-2-pyrazinyl)ethanone;FEMA NO. 3327, 5-METHYL-;1-(3,5-Dimethyl-2-pyrazinyl)-Ethanone;1-(3,5-Dimethylpyrazinyl)ethanone, 9CI;AS-15962;1-(3,5-Dimethyl-2-pyrazinyl)ethanone #;FT-0640234;D81742;EN300-174554;W-105645;Q27288078

Chemical Property of 2-Acetyl-3,5-dimethylpyrazine

Chemical Property:

• Vapor Pressure: 3 mm Hg ( 20 °C)
• Refractive Index: n20/D 1.517(lit.)
• Boiling Point: 238.7 °C at 760 mmHg
• PKA: 1.25±0.10(Predicted)
• Flash Point: 101.2 °C
• PSA: 42.85000
• Density: 1.073 g/cm³
• LogP: 1.29600
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 150.079312947
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

2-Acetyl-3,5-dimethylpyrazine ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN=C(C(=N1)C)C(=O)C
• Description: It has an odor of roasted hazelnut with caramel popcorn nuances.

Technology Process of 2-Acetyl-3,5-dimethylpyrazine

There total 1 articles about 2-Acetyl-3,5-dimethylpyrazine 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: 59.0%

→ 1-(3,5-dimethyl-2-pyrazinyl)-1-ethanone (54300-08-2)

Guidance literature:

Reference yield:

1-(3,5-dimethyl-2-pyrazinyl)-1-ethanone (54300-08-2) → N'-(4-{[4-(3,5-dimethylpyrazin-2-yl)-1,3-thiazol-2-yl]methyl}-2,5-dimethylphenyl)-N-ethyl-N-methylimidoformamide

Guidance literature:

Multi-step reaction with 2 steps

1.1: 2,6-dimethylpyridine; trimethylsilyl trifluoromethanesulfonate / chloroform / 1 h / Cooling with ice; Inert atmosphere

1.2: 0.5 h / 20 °C / Inert atmosphere

2.1: isopropyl alcohol / 0.5 h / 80 °C

With 2,6-dimethylpyridine; trimethylsilyl trifluoromethanesulfonate; In chloroform; isopropyl alcohol;

Refernces