2-Methylpyrazine

Base Information

• Chemical Name: 2-Methylpyrazine
• CAS No.: 109-08-0
• Molecular Formula: C5H6N2
• Molecular Weight: 94.116
• Hs Code.: 29339990
• European Community (EC) Number: 203-645-8
• NSC Number: 49138,30412
• UNII: RVC6500U9C
• DSSTox Substance ID: DTXSID4047620
• Nikkaji Number: J1.501F
• Wikidata: Q27161158
• Metabolomics Workbench ID: 45887
• ChEMBL ID: CHEMBL479791
• Mol file: 109-08-0.mol

Synonyms:2-METHYLPYRAZINE;109-08-0;Methylpyrazine;Pyrazine, methyl-;Pyrazine, 2-methyl-;2-METHYL PYRAZINE;2-Methyl-1,4-diazine;2-methyl-pyrazine;FEMA No. 3309;methyl-pyrazine;CCRIS 2927;EINECS 203-645-8;NSC 30412;UNII-RVC6500U9C;AI3-36550;RVC6500U9C;DTXSID4047620;CHEBI:89015;NSC-30412;NSC-49138;pyrazine, 2-methyl;WLN: T6N DNJ B1;MFCD00006142;methyl pyrazine;5-methylpyrazine;monomethylpyrazine;5-methyl pyrazine;NSC30412;Pirazina, 2-metil-;METHYL-2-PYRAZINE;2- methyl-1,4-diazine;2-Methylpyrazine, >=99%;CHEMBL479791;2-METHYLPYRAZINE [FCC];2-METHYLPYRAZINE [FHFI];DTXCID2027620;FEMA 3309;AMY23232;NSC49138;Tox21_303776;AKOS009156584;AC-3331;HY-W067358;LS-2959;2-Methylpyrazine, >=99%, FCC, FG;NCGC00188126-01;NCGC00357068-01;10-98-0;AS-13593;CAS-109-08-0;CS-0059136;FT-0613074;M0736;EN300-40909;D73175;Q-100051;Q27161158;F8889-9211;Z415628164;2-Methylpyrazine, European Pharmacopoeia (EP) Reference Standard;2-Methylpyrazine, Pharmaceutical Secondary Standard;Certified Reference Material

Chemical Property of 2-Methylpyrazine

Chemical Property:

• Appearance/Colour: clear colorless to slightly yellow liquid
• Vapor Pressure: 9.69mmHg at 25°C
• Melting Point: -29 ºC
• Refractive Index: n20/D 1.504(lit.)
• Boiling Point: 135.1 ºC at 760 mmHg
• PKA: 1.45(at 27℃)
• Flash Point: 50 ºC
• PSA: 25.78000
• Density: 1.021 g/cm³
• LogP: 0.78500
• Storage Temp.: Flammables area
• Water Solubility.: Fully miscible in water.
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 94.053098200
• Heavy Atom Count: 7
• Complexity: 54

Purity/Quality:

99%min ^*data from raw suppliers

2-Methylpyrazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,Xi,F
• Statements: 10-22-36/37/38
• Safety Statements: 26-36-16

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Pyrazines
• Canonical SMILES: CC1=NC=CN=C1
• Description: 2-Methylpyrazine has an odor threshold in water variously reported at 60,000 or 105,000 ppb. May be prepared from the corresponding carboxylic acid; by catalytic dehydrogenation of 2-methyl-piperazine; by condensation of methylglyoxal with ethylenediamine.
• Uses: 2-Methylpyrazine is used as flavoring agents in bread fresh bread, butter, chocolate, chocolate cocoa, coffee, meat roasted, nut almond. These Secondary Standards are qualified as Certified Reference Materials. These are suitable for use in several analytical applications including but not limited to pharma release testing, pharma method development for qualitative and quantitative analyses, food and beverage quality control testing, and other calibration requirements.

Technology Process of 2-Methylpyrazine

There total 116 articles about 2-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:

3-amino-2-propanol (78-96-6,1674-56-2) → 1,4-pyrazine (290-37-9) + 2-Methylpyrazine (109-08-0) + 2,5-dimethyl-pyrazine (123-32-0) + 2-ethyl-3,6-dimethylpyrazine (13360-65-1) + 2,3,5-trimethylpyrazine (14667-55-1) + 1-aminoethyl-2-methylaziridine

Guidance literature:

With copper chromite; at 180 ℃; for 0.333333h; Product distribution; var. temp.; other aminoalcohols;

DOI:10.1007/BF01169640

Reference yield:

2-(2-hydroxy-2-phenylpropyl)pyrazine (108246-76-0) → 2-Methylpyrazine (109-08-0) + 1-Phenylethanol (98-85-1,13323-81-4) + 2-Methyl-1,5-diphenyl-1,5-pentanedione (47074-06-6) + acetophenone (98-86-2)

Guidance literature:

DOI:10.1021/ja01530a036

Reference yield:

D-Glucose (2280-44-6) + L-alanin (56-41-7,25191-17-7,18875-37-1) → 2-Methylpyrazine (109-08-0) + 2,5-dimethyl-pyrazine (123-32-0) + 2-ethyl-3,6-dimethylpyrazine (13360-65-1) + 2,6-dimethylpyrazine (108-50-9) + 2-ethyl-6-methylpyrazine (13925-03-6) + 2-ethyl-5-methypyrazine (13360-64-0)

Guidance literature:

In various solvent(s); at 180 ℃; for 0.116667h; Product distribution; Mechanism; other amino acids (also 13C-labeled); also fructose;

DOI:10.1021/jf00059a009

upstream raw materials:

2-methylpyrazin-5-carboxylic acid

acetic acid

5-methyl-pyrazine-2,3-dicarboxylic acid

glucose

Downstream raw materials:

2-(2-hydroxyethyl)-pyrazine

1,1-diphenyl-2-pyrazin-2-yl-ethanol

1-(4-methoxy-phenyl)-2-pyrazin-2-yl-ethanone

2-<2-Hydroxy-2-phenylethyl>pyrazine

Refernces

Iridium-Catalyzed C-Alkylation of Methyl Group on N-Heteroaromatic Compounds using Alcohols

10.1021/acs.orglett.0c02635

The study presents the development of a catalytic system for the C-alkylation of N-heterocyclic compounds, such as pyridine, pyrimidine, pyrazine, quinoline, quinoxaline, and isoquinoline, using alcohols. The process is based on a hydrogen-borrowing approach and utilizes [Cp*IrCl2]2 as the catalyst precursor, combined with potassium t-butoxide and 18-crown-6-ether. This method is environmentally friendly as it only produces water as a byproduct. The researchers optimized the reaction conditions and demonstrated the system's versatility by applying it to various substrates, achieving good to excellent yields. The study also proposed a possible reaction mechanism involving three steps: hydrogen transfer from alcohol to iridium catalyst, cross-aldol-type condensation, and transfer hydrogenation. The developed catalytic system is expected to contribute to the synthesis of pharmaceuticals and functional materials.

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