N-(Pyrazinylcarbonyl)glycine

Base Information

• Chemical Name: N-(Pyrazinylcarbonyl)glycine
• CAS No.: 57229-37-5
• Molecular Formula: C7H7 N3 O3
• Molecular Weight: 181.15
• DSSTox Substance ID: DTXSID10205847
• Nikkaji Number: J265.050I
• Wikidata: Q83079538
• Mol file: 57229-37-5.mol

Synonyms:N-(pyrazinylcarbonyl)glycine;pyrazinuric acid

Chemical Property of N-(Pyrazinylcarbonyl)glycine

Chemical Property:

• Vapor Pressure: 2.29E-12mmHg at 25°C
• Melting Point: 229-230 °C
• Boiling Point: 537.1°Cat760mmHg
• PKA: 3.08±0.10(Predicted)
• Flash Point: 278.6°C
• PSA: 95.67000
• Density: 1.422g/cm³
• LogP: -0.13420
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 181.04874109
• Heavy Atom Count: 13
• Complexity: 207

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(C=N1)C(=O)NCC(=O)O

Technology Process of N-(Pyrazinylcarbonyl)glycine

There total 8 articles about N-(Pyrazinylcarbonyl)glycine 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: 76.0%

methyl pyrazine-2-carboxylate (6164-79-0) + glycine (56-40-6,18875-39-3,25718-94-9) → N-(pyrazinylcarbonyl)glycine (57229-37-5)

Guidance literature:

With sodium methylate; In N,N-dimethyl-formamide; for 2.5h; Heating;

DOI:10.1002/recl.19881070503

Reference yield:

2-pyrazylcarboxylic acid (98-97-5) + glycine (56-40-6,18875-39-3,25718-94-9) → N-(pyrazinylcarbonyl)glycine (57229-37-5)

Guidance literature:

2-pyrazylcarboxylic acid; With 1,1'-carbonyldiimidazole; In tetrahydrofuran; at 60 ℃; for 1h;

glycine; With triethylamine; In tetrahydrofuran; for 2h;

DOI:10.3390/molecules25071518

Reference yield:

N,O-bis(trimethylsilyl)glycine (7364-42-3) + pyrazinecarboxylic acid imidazolide (103435-88-7) → N-(pyrazinylcarbonyl)glycine (57229-37-5)

Guidance literature:

In dichloromethane; at -40 - 20 ℃; for 16.5h;

DOI:10.3390/molecules181215398

upstream raw materials:

pyrazinoyl chloride

glycine

methyl pyrazine-2-carboxylate

2-pyrazylcarboxylic acid