3-Aminopyrazine-2-carboxylic acid

Base Information

• Chemical Name: 3-Aminopyrazine-2-carboxylic acid
• CAS No.: 5424-01-1
• Molecular Formula: C5H5N3O2
• Molecular Weight: 139.114
• Hs Code.: 29339990
• European Community (EC) Number: 226-558-7
• NSC Number: 225114,13148
• UNII: X78B5D12FN
• DSSTox Substance ID: DTXSID20202589
• Nikkaji Number: J207.935F
• Wikidata: Q72441403
• Mol file: 5424-01-1.mol

Synonyms:3-aminopyrazine-2-carboxylic acid

Chemical Property of 3-Aminopyrazine-2-carboxylic acid

Chemical Property:

• Appearance/Colour: pale brown crystalline solid
• Vapor Pressure: 3.68E-07mmHg at 25°C
• Melting Point: 205-210 °C (dec.)(lit.)
• Refractive Index: 1.5900 (estimate)
• Boiling Point: 401.3 °C at 760 mmHg
• PKA: 3.65±0.10(Predicted)
• Flash Point: 196.5 °C
• PSA: 89.10000
• Density: 1.533 g/cm³
• LogP: 0.33820
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: DMSO (Sparingly) , Methanol (Slightly)
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 139.038176411
• Heavy Atom Count: 10
• Complexity: 139

Purity/Quality:

99% ^*data from raw suppliers

3-Amino-2-pyrazinecarboxylic 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

Useful:

• Canonical SMILES: C1=CN=C(C(=N1)C(=O)O)N
• Uses: Antidiabetic

Technology Process of 3-Aminopyrazine-2-carboxylic acid

There total 9 articles about 3-Aminopyrazine-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: 83.0%

Methyl 3-amino-2-pyrazinecarboxylate (16298-03-6) → 3-aminopyrazinoic acid (5424-01-1)

Guidance literature:

With lithium hydroxide; In methanol; water; for 2h; Reflux;

DOI:10.1021/jm101488z

Reference yield: 67.0%

ammonium 3-carbamoylpyrazine-2-carboxylate (74688-61-2) → 3-aminopyrazinoic acid (5424-01-1)

Guidance literature:

With hydrogenchloride; sodium hydroxide; sodium hypochlorite; at 80 ℃; for 0.0833333h;

DOI:10.1002/jhet.5570170238

Reference yield:

3-aminopyrazine-2-carboxamide (32587-10-3) → 3-aminopyrazinoic acid (5424-01-1)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01519a047

upstream raw materials:

3-aminopyrazine-2-carboxamide

pteridin-4-one

4-aminopteridine

pyrazine-2,3-dicarboxamide

Downstream raw materials:

Methyl 3-amino-2-pyrazinecarboxylate

2-Aminopyrazine

3-oxo-3,4-dihydropyrazine-2-carboxylic acid

2-Phenylpyrazino<2,3-d><3,1>oxazin-4-one

Refernces

• 1、 Charrier, Jean-Damien,Durrant, Steven J.,Golec, Julian M. C.,Kay, David P.,Knegtel, Ronald M. A.,MacCormick, Somhairle,Mortimore, Michael,O'Donnell, Michael E.,Pinder, Joanne L.,Reaper, Philip M.,Rutherford, Alistair P.,Wang, Paul S. H.,Young, Stephen C.,Pollard, John R.. "Discovery of Potent and Selective Inhibitors of Ataxia Telangiectasia Mutated and Rad3 Related (ATR) Protein Kinase as Potential Anticancer Agents". scheme or table. p. 2320 - 2330. Retrieved 2011/06/17.