5-Oxo-5-pyridin-2-ylpentanoic acid

Base Information

• Chemical Name: 5-Oxo-5-pyridin-2-ylpentanoic acid
• CAS No.: 13672-84-9
• Molecular Formula: C₁₀H₁₁NO₃
• Molecular Weight: 193.202
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID20375085
• Wikidata: Q82163624
• Mol file: 13672-84-9.mol

Synonyms:13672-84-9;5-oxo-5-pyridin-2-ylpentanoic acid;5-oxo-5-(pyridin-2-yl)pentanoic acid;5-oxo-5-(2-pyridyl)valeric acid;5-Oxo-5-(pyridin-2-yl)pentanoicacid;SCHEMBL5849694;DTXSID20375085;MFCD01320176;AKOS016022401

Chemical Property of 5-Oxo-5-pyridin-2-ylpentanoic acid

Chemical Property:

• Vapor Pressure: 5.73E-07mmHg at 25°C
• Boiling Point: 395.6°C at 760 mmHg
• Flash Point: 193°C
• PSA: 67.26000
• Density: 1.22g/cm³
• LogP: 1.51920
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 193.07389321
• Heavy Atom Count: 14
• Complexity: 215

Purity/Quality:

97% ^*data from raw suppliers

5-Oxo-5-(2-pyridyl)valericacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=NC(=C1)C(=O)CCCC(=O)O

Technology Process of 5-Oxo-5-pyridin-2-ylpentanoic acid

There total 4 articles about 5-Oxo-5-pyridin-2-ylpentanoic 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%

2-bromo-pyridine (109-04-6) + glutaric anhydride, (108-55-4) → 5-(2-pyridyl)-5-oxopentanoic acid (13672-84-9)

Guidance literature:

2-bromo-pyridine; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

glutaric anhydride,; In tetrahydrofuran; hexane; at -78 - 20 ℃;

DOI:10.1016/j.bmcl.2009.03.148

Reference yield: 26.0%

2-(2'-pyridyl)cyclopentanone (28885-25-8) → 5-(2-pyridyl)-5-oxopentanoic acid (13672-84-9) + 2-hydroxy-2-(2-pyridyl)cyclopentanone (94929-83-6)

Guidance literature:

With oxygen; silica gel; In dichloromethane; for 2h;

DOI:10.1021/jo00206a011

Reference yield:

pyridine N-oxide (694-59-7) → 5-(2-pyridyl)-5-oxopentanoic acid (13672-84-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) benzoyl chloride / 1.) CH₂CL₂, 0 deg C, 30 min, 2.) reflux, 5 h

2: 33 percent / silica gel, O₂ / CH₂Cl₂ / 2 h

With oxygen; silica gel; benzoyl chloride; In dichloromethane;

DOI:10.1021/jo00206a011

upstream raw materials:

2-(2'-pyridyl)cyclopentanone

pyridine N-oxide

2-bromo-pyridine

glutaric anhydride,

Downstream raw materials:

ethyl 5-oxo-5-(pyridin-2-yl)pentanoate

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