2-Methyl-3-(methylthio)pyrazine

Base Information

• Chemical Name: 2-Methyl-3-(methylthio)pyrazine
• CAS No.: 2882-20-4
• Deprecated CAS: 1202864-72-9
• Molecular Formula: C6H8N2S
• Molecular Weight: 140.209
• Hs Code.: 29339900
• European Community (EC) Number: 220-736-8,269-880-3
• NSC Number: 222757
• UNII: KI350CS0LZ
• DSSTox Substance ID: DTXSID70863048
• Nikkaji Number: J110.563I
• Wikidata: Q27282262
• Metabolomics Workbench ID: 45474
• ChEMBL ID: CHEMBL97593
• Mol file: 2882-20-4.mol

Synonyms:2-Methyl-3-(methylthio)pyrazine;2882-20-4;2-Methylthio-3-methylpyrazine;2-Methyl-3-methylsulfanyl-pyrazine;Pyrazine, 2-methyl-3-(methylthio)-;2-methyl-3-methylsulfanylpyrazine;2-Methylmercapto-3-methylpyrazine;3-Methyl-2-methylthiopyrazine;2-Methyl-3-methylmercaptopyrazine;68378-12-1;FEMA 3208;(Methylthio)methylpyrazine;Pyrazine, 2-methyl-3(or 5)-(methylthio)-;EINECS 269-880-3;MFCD00014610;UNII-KI350CS0LZ;2-Methyl-3(or5)-(methylthio)pyrazine;KI350CS0LZ;2-Methyl-(3,5 or 6)-methylthiopyrazine;FEMA No. 3208;EINECS 220-736-8;NSC 222757;NSC-222757;Pyrazine, 2-methyl-(3,5 or 6)-methylthio-;(Methylthio)(methyl)pyrazine;2-methyl-3-(methyl thio) pyrazine;2-methyl-3-methylthiopyrazine;Pyrazine,2-methyl-3-(methylthio)-;S(C)c1nccnc1C;Methylmethylthiopyrazine;Methyl(methylthio)pyrazine;CHEMBL97593;SCHEMBL891369;2-methyl-3-methylsulanylpyrazine;3- methyl-2-methyl thiopyrazine;DTXSID70863048;CHEBI:178124;EINECS 267-918-3;2-Methyl-3-(methylsulfanyl)pyrazine;AC7605;NSC222757;AKOS015842589;2-Methyl-3-(methylsulfanyl)pyrazine #;2-Methylthio-3(5/6)-Methyl Pyrazine;CS-W018307;2-Methyl-3-(methylthio)pyrazine, 80%;2 - methyl - 3 - (methylthio)pyrazine;2-methyl thio-3,5 or 6-methyl pyrazine;AC-11166;AM100624;DS-14134;SY015340;2-methyl-3(or 5)-(methyl thio) pyrazine;LS-127620;FEMA NO. 3208, 3-(METHYLTHIO)-;FT-0613064;M0685;2-Methyl-3(or 5 or 6)-(methylthio)pyrazine;3(or 5 or 6)-(Methylthio)-2-methylpyrazine;A819616;A835942;Q-100364;Q27282262

Chemical Property of 2-Methyl-3-(methylthio)pyrazine

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Refractive Index: n20/D 1.585(lit.)
• Boiling Point: 221.007 °C at 760 mmHg
• PKA: 0.88±0.10(Predicted)
• Flash Point: 87.462 °C
• PSA: 51.08000
• Density: 1.148 g/cm³
• LogP: 1.50690
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 140.04081944
• Heavy Atom Count: 9
• Complexity: 87.1

Purity/Quality:

99% ^*data from raw suppliers

2-Methyl-3-(methylthio)pyrazine >99.0%(GC) ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=CN=C1SC

Technology Process of 2-Methyl-3-(methylthio)pyrazine

There total 4 articles about 2-Methyl-3-(methylthio)pyrazine 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: 92.0%

2-chloro-3-methylpyrazine (95-58-9) + methylthiol (74-93-1) → 2-methyl-3-(methylthio)pyrazine (2882-20-4)

Guidance literature:

With sodium ethanolate; In ethanol; for 2h; Heating;

DOI:10.1002/jhet.5570170210

Reference yield: 90.0%

methyl-3 mercapto-2 pyrazine (5271-25-0) + methyl iodide (74-88-4) → 2-methyl-3-(methylthio)pyrazine (2882-20-4)

Guidance literature:

With soude; In water; for 1h;

DOI:10.1002/jhet.5570170210

Reference yield:

2-Methylpyrazine (109-08-0) + sodium thiomethoxide (5188-07-8) → 2-methyl-5-methylthiopyrazine (2884-14-2) + 2-methyl-6-methylthiopopyrazine (2884-13-1) + 2-methyl-3-(methylthio)pyrazine (2882-20-4)

Guidance literature:

2-Methylpyrazine; With chlorine; triethylamine; In 1,2-dichloro-ethane; at 45 - 60 ℃; for 4.5h; under 150.015 - 225.023 Torr; Large scale;

sodium thiomethoxide; at 80 - 90 ℃; for 3.5h; Temperature; Overall yield = 8.6 kg; Large scale;

upstream raw materials:

2-chloro-3-methylpyrazine

methylthiol

methyl-3 mercapto-2 pyrazine

methyl iodide

Downstream raw materials:

thieno<2,3-b>pyrazine

Refernces

• 1、 Bourguignon,Lemarchand,Queguiner. "New syntheses of thieno[2,3-b]pyrazine". . p. 257 - 264. Retrieved 2007/10/02.