2-Oxo-2-(pyridin-3-yl)acetic acid

Base Information

• Chemical Name: 2-Oxo-2-(pyridin-3-yl)acetic acid
• CAS No.: 39684-37-2
• Molecular Formula: C7H5NO3
• Molecular Weight: 151.122
• Hs Code.: 2933399090
• European Community (EC) Number: 871-114-3
• DSSTox Substance ID: DTXSID10543498
• Nikkaji Number: J1.767.674A
• Wikidata: Q82420401
• Mol file: 39684-37-2.mol

Synonyms:39684-37-2;2-Oxo-2-(pyridin-3-yl)acetic acid;oxo(3-pyridinyl)acetic acid;2-oxo-2-pyridin-3-ylacetic acid;oxo-pyridin-3-yl-acetic acid;Oxo(pyridin-3-yl)acetic acid;2-Oxo-2-(pyridin-3-yl)aceticacid;3-pyridyl glyoxylic acid;pyrid-3-ylglyoxylic acid;(3-pyridyl)glyoxylic acid;SCHEMBL265578;DTXSID10543498;JVSRKIHKRQXLHU-UHFFFAOYSA-N;2-Oxo-2-(3-pyridinyl)acetic Acid;MFCD13248727;AKOS005173881;SB54473;BS-37810;CS-0187982;E76026;A849266

Chemical Property of 2-Oxo-2-(pyridin-3-yl)acetic acid

Chemical Property:

• PSA: 67.26000
• LogP: 0.34890
• Storage Temp.: 2-8°C
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 151.026943022
• Heavy Atom Count: 11
• Complexity: 179

Purity/Quality:

97% ^*data from raw suppliers

oxo(3-pyridinyl)aceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)C(=O)C(=O)O

Technology Process of 2-Oxo-2-(pyridin-3-yl)acetic acid

There total 8 articles about 2-Oxo-2-(pyridin-3-yl)acetic 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: 70.0%

(4-hydroxyphenylimino)pyridin-3-ylacetonitrile (477935-06-1) → oxopyridin-3-ylacetic acid (39684-37-2)

Guidance literature:

With hydrogenchloride; at 20 ℃; for 48h;

DOI:10.1016/S0040-4039(02)00799-2

Reference yield: 19.8%

3-ethylpyridine (536-78-7,151103-56-9) → nicotinic acid (59-67-6) + oxopyridin-3-ylacetic acid (39684-37-2)

Guidance literature:

With potassium hydroxide; potassium permanganate; at 45 ℃; for 0.166667h;

DOI:10.1007/BF00763664

Reference yield:

methyl-3-pyridylketone (350-03-8) → oxopyridin-3-ylacetic acid (39684-37-2)

Guidance literature:

With pyridine; selenium(IV) oxide;

upstream raw materials:

methyl-3-pyridylketone

3-ethylpyridine

pyridine

selenium(IV) oxide

Downstream raw materials:

Nicotinic acid N-oxide

ethyl 2-oxo-2-(pyridin-3-yl)acetate