5-Oxo-5-(3-pyridyl)valeric acid

Base Information

• Chemical Name: 5-Oxo-5-(3-pyridyl)valeric acid
• CAS No.: 22971-46-6
• Molecular Formula: C10H11NO3
• Molecular Weight: 193.202
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID80375086
• Nikkaji Number: J1.710.705D
• Wikidata: Q82163625
• Mol file: 22971-46-6.mol

Synonyms:5-Oxo-5-(3-pyridyl)valeric acid;22971-46-6;5-oxo-5-pyridin-3-ylpentanoic acid;5-OXO-5-(PYRIDIN-3-YL)PENTANOIC ACID;SCHEMBL3939109;DTXSID80375086;5-Oxo-5-(3-pyridyl)pentanoic acid;MFCD01320177;AKOS006342816;CS-0449823;5-OXO-5-(PYRIDIN-3-YL)PENTANOICACID;E87410

Chemical Property of 5-Oxo-5-(3-pyridyl)valeric acid

Chemical Property:

• Vapor Pressure: 6.53E-08mmHg at 25°C
• Boiling Point: 423°C at 760 mmHg
• Flash Point: 209.6°C
• PSA: 67.26000
• Density: 1.22g/cm³
• LogP: 1.51920
• XLogP3: 0.2
• 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:

98% ^*data from raw suppliers

5-OXO-5-(3-PYRIDYL)VALERICACID ^*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)CCCC(=O)O

Technology Process of 5-Oxo-5-(3-pyridyl)valeric acid

There total 1 articles about 5-Oxo-5-(3-pyridyl)valeric 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:

→ 5-oxo-5-(pyridin-3-yl)pentanoic acid (22971-46-6)

Guidance literature:

2-Nicotinoyl-pentandisaeure-diethylester, sd. wss. H2SO4 (21h);

Reference yield: 58.0%

D-2-phenylglycinol (56613-80-0) + 5-oxo-5-(pyridin-3-yl)pentanoic acid (22971-46-6) → (3R,8aR)-5-oxo-3-phenyl-8a-(3-pyridyl)-2,3,6,7,8,8a-hexahydro-5H-oxazolo[3,2-a]pyridine (439085-00-4)

Guidance literature:

In toluene; for 24h; Heating;

DOI:10.1039/b200020m DOI:10.1002/chem.200600420

Reference yield:

5-oxo-5-(pyridin-3-yl)pentanoic acid (22971-46-6) → Anabasine (494-52-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 58 percent / toluene / 24 h / Heating

2: 78 percent / LiAlH₄ / tetrahydrofuran / 15 h / 20 °C

3: 81 percent / Pd(OH)2/C / methanol / 25 °C

With lithium aluminium tetrahydride; palladium dihydroxide; In tetrahydrofuran; methanol; toluene;

DOI:10.1002/chem.200600420

Downstream raw materials:

(3R,8aR)-5-oxo-3-phenyl-8a-(3-pyridyl)-2,3,6,7,8,8a-hexahydro-5H-oxazolo[3,2-a]pyridine

Anabasine

6, 7-dihydro-5H-isoquinolin-8-one

5,6,7,8-tetrahydroquinolin-5-one

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