Methyl 6-methyl-5-oxo-4,5-dihydropyrazine-2-carboxylate

Base Information

• Chemical Name: Methyl 6-methyl-5-oxo-4,5-dihydropyrazine-2-carboxylate
• CAS No.: 77168-84-4
• Molecular Formula: C₇H₈N₂O₃
• Molecular Weight: 168.152
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20504555
• Wikidata: Q82359127
• Mol file: 77168-84-4.mol

Synonyms:Methyl 6-methyl-5-oxo-4,5-dihydropyrazine-2-carboxylate;77168-84-4;methyl 5-methyl-6-oxo-1H-pyrazine-3-carboxylate;SCHEMBL8548140;SCHEMBL26673061;DTXSID20504555;JCMZXOQWHTZUFP-UHFFFAOYSA-N;CDA16884;Pyrazinecarboxylic acid, 4,5-dihydro-6-methyl-5-oxo-, methyl ester;AMY202003271;CS-0133361;F12724;Methyl 5-hydroxy-6-methylpyrazine-2-carboxylate;A865331;methyl 4,5-dihydro-6-methyl-5-oxo-2-pyrazine carboxylate

Chemical Property of Methyl 6-methyl-5-oxo-4,5-dihydropyrazine-2-carboxylate

Chemical Property:

• PSA: 72.05000
• LogP: -0.13510
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 168.05349212
• Heavy Atom Count: 12
• Complexity: 291

Purity/Quality:

97% ^*data from raw suppliers

Methyl6-methyl-5-oxo-4,5-dihydropyrazine-2-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=CNC1=O)C(=O)OC

Technology Process of Methyl 6-methyl-5-oxo-4,5-dihydropyrazine-2-carboxylate

There total 4 articles about Methyl 6-methyl-5-oxo-4,5-dihydropyrazine-2-carboxylate 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: 75.0%

methanol (67-56-1) + 4,5-dihydro-6-methyl-5-oxo-2-pyrazinecarboxylic acid (77168-83-3) → methyl 4,5-dihydro-6-methyl-5-oxo-2-pyrazinecarboxylate (77168-84-4)

Guidance literature:

With thionyl chloride; for 2h; Heating;

DOI:10.1248/cpb.28.3057

Reference yield:

1,6-dihydro-5-methyl-6-oxo-2,3-pyrazinedicarbonitrile (57005-61-5) → methyl 4,5-dihydro-6-methyl-5-oxo-2-pyrazinecarboxylate (77168-84-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 78 percent / conc. HCl / 4 h / Heating

2: 75 percent / SOCl₂ / 2 h / Heating

With hydrogenchloride; thionyl chloride;

DOI:10.1248/cpb.28.3057

Reference yield:

3-carbamoyl-1,6-dihydro-5-methyl-6-oxo-2-pyrazinecarboxylic acid (77168-81-1) → methyl 4,5-dihydro-6-methyl-5-oxo-2-pyrazinecarboxylate (77168-84-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 77 percent / nitrobenzene / 3 h / 170 - 180 °C

2: 33 percent / 10percent NaOH / 3 h / Heating

3: 75 percent / SOCl₂ / 2 h / Heating

With sodium hydroxide; thionyl chloride; nitrobenzene;

DOI:10.1248/cpb.28.3057

upstream raw materials:

methanol

4,5-dihydro-6-methyl-5-oxo-2-pyrazinecarboxylic acid

4,5-dihydro-6-methyl-5-oxo-2-pyrazinecarboxamide

1,6-dihydro-5-methyl-6-oxo-2,3-pyrazinedicarbonitrile

Downstream raw materials:

4,5-dihydro-6-methyl-5-oxo-2-pyrazinecarboxylic acid 1-oxide

methyl 5-chloro-6-methyl-2-pyrazinecarboxylate

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