Ethyl 4-oxo-4-(4-pyridyl)butyrate

Base Information

• Chemical Name: Ethyl 4-oxo-4-(4-pyridyl)butyrate
• CAS No.: 25370-46-1
• Molecular Weight: 207.23
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID80449256
• Nikkaji Number: J1.852.409K
• Wikidata: Q82268668
• Mol file: 25370-46-1.mol

Synonyms:25370-46-1;Ethyl 4-oxo-4-(4-pyridyl)butyrate;4-Oxo-4-pyridin-4-yl-butyric acid ethyl ester;gamma-Oxo-4-pyridinebutyric acid ethyl ester;ethyl 4-oxo-4-pyridin-4-ylbutanoate;ETHYL 4-OXO-4-(PYRIDIN-4-YL)BUTANOATE;MFCD01320358;SCHEMBL6160053;DTXSID80449256;JFPRUEOYDZHTQW-UHFFFAOYSA-N;AKOS015154994;FT-0673396;ETHYL4-OXO-4-(PYRIDIN-4-YL)BUTANOATE;J-015963

Chemical Property of Ethyl 4-oxo-4-(4-pyridyl)butyrate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.507
• Boiling Point: 347.7°Cat760mmHg
• PKA: 3.05±0.10(Predicted)
• Flash Point: 164.1°C
• PSA: 56.26000
• Density: 1.128g/cm³
• LogP: 1.60760
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 207.08954328
• Heavy Atom Count: 15
• Complexity: 222

Purity/Quality:

97% ^*data from raw suppliers

γ-Oxo-4-pyridinebutyricAcidEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)CCC(=O)C1=CC=NC=C1
• Uses: γ-Pyridyl- and γ-quinolylbutyrolactones as potential anthelmintics.

Technology Process of Ethyl 4-oxo-4-(4-pyridyl)butyrate

There total 9 articles about Ethyl 4-oxo-4-(4-pyridyl)butyrate 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: 63.0%

pyridine-4-carbaldehyde (872-85-5) + ethyl acrylate (140-88-5,9003-32-1) → ethyl 4-(pyridin-4-yl)-4-oxobutanoate (25370-46-1) + 4,4'-pyridoin (91973-64-7)

Guidance literature:

With 1-n-butyl-3-methylimidazolim bromide; sodium hydroxide; at 80 ℃;

DOI:10.14233/ajchem.2020.22711

Reference yield: 31.0%

→ ethyl 4-(pyridin-4-yl)-4-oxobutanoate (25370-46-1)

Guidance literature:

Reference yield:

pyridine-4-carbaldehyde (872-85-5) + ethyl acrylate (140-88-5,9003-32-1) → ethyl 4-(pyridin-4-yl)-4-oxobutanoate (25370-46-1)

Guidance literature:

With 3-benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride; triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 2.5h;

upstream raw materials:

diethyl 4-pyridylcarbonylsuccinate

pyridine-4-carboxylic acid

isonicotinic acid ethylester

succinic acid diethyl ester

Downstream raw materials:

ethyl 4-(piperidin-4-yl)butyrate

ethyl 4-{4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzyloxyimino}-4-(4-pyridyl)butyrate