5,6-Dimethylpyrazin-2(1H)-one

Base Information

• Chemical Name: 5,6-Dimethylpyrazin-2(1H)-one
• CAS No.: 57229-36-4
• Molecular Formula: C6H8N2O
• Molecular Weight: 124.142
• European Community (EC) Number: 852-036-9
• DSSTox Substance ID: DTXSID40498664
• Nikkaji Number: J1.054.230H
• Wikidata: Q82348872
• Mol file: 57229-36-4.mol

Synonyms:57229-36-4;5,6-dimethylpyrazin-2-ol;5,6-Dimethylpyrazin-2(1H)-one;5,6-dimethyl-2-pyrazinol;5,6-DIMETHYL-1H-PYRAZIN-2-ONE;5,6-dimethyl-1,2-dihydropyrazin-2-one;5,6-diMethyl-2-hydroxypyrazine;SCHEMBL608693;2,3-Dimethyl-5-hydroxypyrazine;SCHEMBL13500419;DTXSID40498664;QPHGZSXJSJIEQN-UHFFFAOYSA-N;MFCD13705420;MFCD24394649;AKOS022633084;AKOS030622917;AS-58282;SY103771;CS-0153595;FT-0759642;C75680;EN300-132921;Z1255400771

Chemical Property of 5,6-Dimethylpyrazin-2(1H)-one

Chemical Property:

• Melting Point: 200-201 °C
• PKA: 11.78±0.60(Predicted)
• PSA: 45.75000
• Density: 1.17±0.1 g/cm3(Predicted)
• LogP: 0.38670
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 124.063662883
• Heavy Atom Count: 9
• Complexity: 203

Purity/Quality:

97% ^*data from raw suppliers

5,6-dimethylpyrazin-2-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(N=CC(=O)N1)C

Technology Process of 5,6-Dimethylpyrazin-2(1H)-one

There total 11 articles about 5,6-Dimethylpyrazin-2(1H)-one 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: 81.0%

glycinamide hydrochloride (1668-10-6) + dimethylglyoxal (431-03-8) → 5,6-dimethyl-2-hydroxypyrazine (57229-36-4)

Guidance literature:

glycinamide hydrochloride; With sodium hydroxide; In methanol; water; at -30 ℃; for 0.166667h;

dimethylglyoxal; In methanol; at -30 - 20 ℃; for 3.5h;

DOI:10.1055/s-0031-1290972

Reference yield: 9.0%

2-chloro-5,6-dimethylpyrazine (59489-32-6) → 2,3-Dimethyl-5-hydroxypyrazine (57229-36-4)

Guidance literature:

With hydrogenchloride; for 4h; Heating; Sublimation at 130 deg C/3 torr;

Reference yield: 5.0%

1-benzyloxy-5,6-dimethyl-2(1H)-pyrazinone (145458-83-9) → 2,3-Dimethyl-5-hydroxypyrazine (57229-36-4) + 3-benzyloxy-5,6-dimethyl-2(1H)-pyrazinone

Guidance literature:

In benzene; for 1.5h; Irradiation;

DOI:10.3987/com-96-7392

upstream raw materials:

bromo-acetic acid-(1-methyl-2-oxo-propylamide)

dimethylglyoxal

H-Gly-NH₂

2-chloro-5,6-dimethylpyrazine

Downstream raw materials:

5,6-dimethyl-3-phenyl-1H-pyrazin-2-one

5,6-dimethyl-3-phenylazo-1H-pyrazin-2-one

2-chloro-5,6-dimethylpyrazine

5-bromo-2,3-dimethylpyrazine