5-Hydroxypyrazine-2-carboxylic acid

Base Information

• Chemical Name: 5-Hydroxypyrazine-2-carboxylic acid
• CAS No.: 34604-60-9
• Molecular Formula: C5H4N2O3
• Molecular Weight: 140.098
• Hs Code.: 2933990090
• European Community (EC) Number: 640-522-1
• UNII: M2V0DP3ENP
• DSSTox Substance ID: DTXSID40188179
• Nikkaji Number: J47.668D
• Wikidata: Q63392308
• Mol file: 34604-60-9.mol

Synonyms:5-hydroxypyrazinoic acid

Chemical Property of 5-Hydroxypyrazine-2-carboxylic acid

Chemical Property:

• Appearance/Colour: Brownish powder
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: >295°C (dec.)
• Refractive Index: 1.639
• Boiling Point: 608.49 °C at 760 mmHg
• PKA: 6.15±0.20(Predicted)
• Flash Point: 321.804 °C
• PSA: 83.31000
• Density: 1.613 g/cm³
• LogP: -0.11960
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly, Heated), Methanol (Very Slightly, Heated)
• XLogP3: -1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 140.02219199
• Heavy Atom Count: 10
• Complexity: 241

Purity/Quality:

99% ^*data from raw suppliers

5-Hydroxypyrazine-2-carboxylic Acid ^*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

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(N=CC(=O)N1)C(=O)O
• Uses: 5-Hydroxypyrazine-2-carboxylic acid is used as building block in chemical synthesis. Attributes Development Product Contact A versatile building block for the synthesis of new antituberculous agents. A metabolite of Pyrazinamide (P840600).

Technology Process of 5-Hydroxypyrazine-2-carboxylic acid

There total 9 articles about 5-Hydroxypyrazine-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: 100.0%

5-chloropyrazinoic acid (36070-80-1) → 5-hydroxypyrazinoic acid (34604-60-9)

Guidance literature:

With sodium hydroxide; for 1h; Heating;

Reference yield: 77.1%

sodium 3-carboxy-6-oxo-1H-pyrazine-2-carboxylate → 4,5-dihydro-5-oxo-2-pyrazinecarboxylic acid (34604-60-9)

Guidance literature:

sodium 3-carboxy-6-oxo-1H-pyrazine-2-carboxylate; With Aliquat 336; In sulfolane; toluene; at 150 ℃; for 2.5h; Dean-Stark; Large scale;

With sodium hydroxide; In water; regioselective reaction; Large scale;

DOI:10.1021/acs.oprd.7b00384

Reference yield: 77.0%

4,5-dihydro-5-oxo-2-pyrazinecarboxamide (13924-96-4) → 4,5-dihydro-5-oxo-2-pyrazinecarboxylic acid (34604-60-9)

Guidance literature:

With sodium hydroxide; In water; for 3h; Heating;

DOI:10.1248/cpb.28.3057

upstream raw materials:

5-chloropyrazinoic acid

2-Hydroxy-5-(2'-furyl)pyrazine

2-chloro-5-furan-2-yl-pyrazine

Glyoxilic acid

Downstream raw materials:

5-chloropyrazine-2-carbonyl chloride

1-(5-chloropyrazin-2-yl)ethan-1-one

2-amino-4-(3-bromophenyl)-6-[2-(4-morpholinyl)-2-pyrazinyl]nicotinonitrile

5-hydroxy-pyrazine-2-carboxylic acid methyl ester