3-Oxo-6-phenyl-3,4-dihydropyrazine-2-carboxylic acid

Base Information

• Chemical Name: 3-Oxo-6-phenyl-3,4-dihydropyrazine-2-carboxylic acid
• CAS No.: 110460-18-9
• Molecular Formula: C11H8N2O3
• Molecular Weight: 216.196
• DSSTox Substance ID: DTXSID70702145
• Wikidata: Q82633963
• Mol file: 110460-18-9.mol

Synonyms:110460-18-9;3-OXO-6-PHENYL-3,4-DIHYDROPYRAZINE-2-CARBOXYLIC ACID;SCHEMBL6990771;DTXSID70702145;AB60435;FT-0720328;2-oxo-5-phenyl-1H-pyrazine-3-carboxylic acid

Chemical Property of 3-Oxo-6-phenyl-3,4-dihydropyrazine-2-carboxylic acid

Chemical Property:

• Melting Point: 220 °C
• PKA: 0.30±0.20(Predicted)
• PSA: 83.05000
• Density: 1.40±0.1 g/cm3(Predicted)
• LogP: 1.13510
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 216.05349212
• Heavy Atom Count: 16
• Complexity: 379

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CNC(=O)C(=N2)C(=O)O

Technology Process of 3-Oxo-6-phenyl-3,4-dihydropyrazine-2-carboxylic acid

There total 8 articles about 3-Oxo-6-phenyl-3,4-dihydropyrazine-2-carboxylic acid 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:

C12H10N2O3 (1374850-08-4) → C11H8N2O3 (110460-18-9)

Guidance literature:

C₁₂H₁₀N₂O₃; With water; lithium hydroxide; In tetrahydrofuran; at 20 ℃; for 2h;

With hydrogenchloride; In tetrahydrofuran; water;

Reference yield:

3-amino-6-phenyl-2-pyrazine carboxylic acid (84066-21-7) → 3-oxo-6-phenyl-3,4-dihydro-pyrazine-2-carboxylic acid (110460-18-9)

Guidance literature:

With sulfuric acid; sodium nitrite;

DOI:10.1021/ja01519a047

Reference yield:

2-amino-3-carbamoyl-5-phenylpyrazine (113120-69-7) → 3-oxo-6-phenyl-3,4-dihydro-pyrazine-2-carboxylic acid (110460-18-9)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH solution

2: NaNO₂; concentrated H₂SO₄

With sodium hydroxide; sulfuric acid; sodium nitrite;

DOI:10.1021/ja01519a047

upstream raw materials:

3-amino-6-phenyl-2-pyrazine carboxylic acid

6-(phenyl)pterin

2-amino-3-carbamoyl-5-phenylpyrazine

2,6-diamino-5-(2-nitro-1-phenyl-ethylLiDenamino)-3H-pyrimidin-4-one