Isonicotinylglycine

Base Information

• Chemical Name: Isonicotinylglycine
• CAS No.: 2015-20-5
• Molecular Formula: C₈H₈N₂O₃
• Molecular Weight: 180.163
• Hs Code.: 2933399090
• European Community (EC) Number: 873-655-0
• DSSTox Substance ID: DTXSID60942194
• Nikkaji Number: J21.232F
• Wikidata: Q27149665
• Metabolomics Workbench ID: 49620
• ChEMBL ID: CHEMBL3544636
• Mol file: 2015-20-5.mol

Synonyms:isonicotinuric acid;isonicotinylglycine

Chemical Property of Isonicotinylglycine

Chemical Property:

• Vapor Pressure: 2.51E-11mmHg at 25°C
• Boiling Point: 512.5°Cat760mmHg
• Flash Point: 263.7°C
• PSA: 79.29000
• Density: 1.343g/cm³
• LogP: 0.28690
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 180.05349212
• Heavy Atom Count: 13
• Complexity: 200

Purity/Quality:

99% ^*data from raw suppliers

2-(pyridin-4-ylformamido)aceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC=C1C(=O)NCC(=O)O

Technology Process of Isonicotinylglycine

There total 8 articles about Isonicotinylglycine 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: 82.0%

ethyl (isonicotinamid-4-yl)acetate (574715-93-8) → ((4-pyridylcarbonyl)amino)acetic acid (2015-20-5)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; water-d2;

DOI:10.1021/jm301247n

Reference yield: 54.0%

4-(chlorocarbonyl)pyridine (14254-57-0) + glycine (56-40-6,18875-39-3,25718-94-9) → ((4-pyridylcarbonyl)amino)acetic acid (2015-20-5)

Guidance literature:

With sodium hydroxide; In water; at -5 ℃; for 4h; pH:8-9;

Reference yield:

4-pyridylcarbonylamino acetic acid methyl ester (90557-95-2) → ((4-pyridylcarbonyl)amino)acetic acid (2015-20-5)

Guidance literature:

With lithium hydroxide monohydrate; In methanol; water; Cooling with ice;

upstream raw materials:

ethyl (isonicotinamid-4-yl)acetate

isonicotinoyl azide

glycine

4-(chlorocarbonyl)pyridine

Downstream raw materials:

(S)-N-[[3-[3-fluoro-4-[4-[2-isonicotinamidoacetyl]piperazin-1-yl]phenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide