Pyrazine-2-carboxylic acid

Base Information

• Chemical Name: Pyrazine-2-carboxylic acid
• CAS No.: 98-97-5
• Molecular Formula: C5H4N2O2
• Molecular Weight: 124.099
• Hs Code.: 29339990
• European Community (EC) Number: 202-718-1
• NSC Number: 27192,13146
• UNII: 2WB23298SP
• DSSTox Substance ID: DTXSID30243367
• Nikkaji Number: J11.623H
• Wikipedia: Pyrazinoic acid
• Wikidata: Q7263414
• Pharos Ligand ID: K7K91T49TUVZ
• Metabolomics Workbench ID: 65577
• ChEMBL ID: CHEMBL613
• Mol file: 98-97-5.mol

Synonyms:pyrazine-2-carboxylic acid;pyrazinoate;pyrazinoic acid

Chemical Property of Pyrazine-2-carboxylic acid

Chemical Property:

• Appearance/Colour: white to off-white crystalline powder
• Vapor Pressure: 0.000217mmHg at 25°C
• Melting Point: 222-225 °C
• Refractive Index: 1.578
• Boiling Point: 313.1 °C at 760 mmHg
• PKA: pK (25°) 2.92
• Flash Point: 143.1 °C
• PSA: 63.08000
• Density: 1.403 g/cm³
• LogP: 0.17480
• Storage Temp.: Store below +30°C.
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated)
• Water Solubility.: SOLUBLE IN COLD WATER
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 124.027277375
• Heavy Atom Count: 9
• Complexity: 116

Purity/Quality:

98%MIN. ^*data from raw suppliers

Pyrazinecarboxylic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,C,F
• Hazard Codes: Xi,C,F
• Statements: 11-34
• Safety Statements: 22-24/25-45-36/37/39-26-16

MSDS Files:

Useful:

• Chemical Classes: Nitrogen Compounds -> Pyrazines
• Canonical SMILES: C1=CN=C(C=N1)C(=O)O
• Uses: Pyrazinecarboxylic Acid is a very potent urate retaining drug. Pyrazinecarboxylic Acid is a metabolite of the antibacterial agent Pyrazinamide (P840600). Labelled analogue of Pyrazinecarboxylic Acid, a very potent urate retaining drug. Pyrazinecarboxylic Acid is a metabolite of the antibacterial agent Pyrazinamide (P840600).

Technology Process of Pyrazine-2-carboxylic acid

There total 19 articles about Pyrazine-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: 85.0%

2,3-dicarboxypyrazine (89-01-0) → 2-pyrazylcarboxylic acid (98-97-5)

Guidance literature:

With sulfuric acid; acetic acid; for 2h; Heating;

Reference yield: 64.0%

2-Methylpyrazine (109-08-0) → 2-pyrazylcarboxylic acid (98-97-5)

Guidance literature:

With 18-crown-6 ether; potassium tert-butylate; oxygen; In 1,2-dimethoxyethane; at 60 ℃; for 24h; under 3800 Torr;

DOI:10.1007/BF00476210

Reference yield: 55.0%

→ 2-pyrazylcarboxylic acid (98-97-5)

Guidance literature:

upstream raw materials:

2-Methylpyrazine

2-ethylpyrazine

pyrazine-2,3-dicarbonitrile

2,5-pyrazinedicarboxylic acid

Downstream raw materials:

methyl pyrazine-2-carboxylate

pyrazine-2-carboxylic acid benzylamide

1,4-pyrazine

2,5-pyrazinedicarboxylic acid

Refernces

Halogen bonding synthon modularity in coordination compounds

10.1021/acs.cgd.5b00282

The research aims to understand how the crystal structure of [HgBr2(L3,4?diCl)] is influenced by its single-component precursors [HgBr2(L3?Cl)] and [HgBr2(L4?Cl)], where L represents a N-(chlorinatedphenyl)-2-pyrazinecarboxamide ligand. The researchers found that the crystal packing of [HgBr2(L3,4?diCl)] retains the Cl···N and Cl···Br halogen bonding synthons reminiscent of the single components, demonstrating structural modularity based on halogen bonding interactions. This is the first report on structural modularity in coordination compounds and could be instrumental in inorganic crystal engineering, particularly in polymorphism and crystal structure prediction. The chemicals used in the process include 3-chloroaniline, 4-chloroaniline, 3,4-dichloroaniline, pyrazinecarboxylic acid, and HgBr2.

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