Ethyl 3-oxo-3-(pyridin-2-yl)propanoate

Base Information

• Chemical Name: Ethyl 3-oxo-3-(pyridin-2-yl)propanoate
• CAS No.: 26510-52-1
• Molecular Formula: C10H11NO3
• Molecular Weight: 193.202
• Hs Code.: 29333990
• European Community (EC) Number: 674-179-4
• DSSTox Substance ID: DTXSID30371376
• Nikkaji Number: J2.131.284C
• Wikidata: Q72476537
• ChEMBL ID: CHEMBL2035673
• Mol file: 26510-52-1.mol

Synonyms:26510-52-1;Ethyl picolinoylacetate;ethyl 3-oxo-3-(pyridin-2-yl)propanoate;ethyl 3-oxo-3-pyridin-2-ylpropanoate;ethyl 3-oxo-3-(2-pyridyl)propionate;MFCD00094022;Ethylpicolinoylacetate;Ethyl picolinoyl acetate;D05HBZ;SCHEMBL601821;CHEMBL2035673;DTXSID30371376;FQHXWZMJALFSJJ-UHFFFAOYSA-N;BBA51052;Ethyl picolinoylacetate, AldrichCPR;AB9303;ethyl 3-(pyridinyl)-3-oxopropionate;STL131872;AKOS004911151;ethyl 3-(2-pyridyl)-3-oxopropionate;CS-W004737;ethyl 3-oxo-3-pyridin-2-yl-propionate;ethyl3-oxo-3-(pyridin-2-yl)propanoate;BP-12617;SY009100;2-Pyridinepropanoicacid,b-oxo-,ethyl ester;FT-0638612;beta-Oxopyridine-2-propanoic acid ethyl ester;EN300-51715;3-oxo-3-(2-pyridyl)propanoic acid ethyl ester;3-Oxo-3-(2-pyridyl)propionic acid ethyl ester;3-oxo-3-pyridin-2-yl-propionic acid ethyl ester;2-Pyridinepropanoic acid, beta-oxo-, ethyl ester;3-Oxo-3-(pyridin-2-yl)propionic acid ethyl ester;A818479;3-Oxo-3-(pyridin-2-yl)-propionic Acid Ethyl Ester;J-520897;F0001-0874;Z362636778;acetyl 3-ethylpyridine-2-carboxylate;Ethyl 3-Oxo-3-(2-pyridyl)propionate

Chemical Property of Ethyl 3-oxo-3-(pyridin-2-yl)propanoate

Chemical Property:

• Appearance/Colour: clear straw-yellow to brown liquid
• Vapor Pressure: 0.005mmHg at 25°C
• Refractive Index: 1.516-1.519
• Boiling Point: 276.584 °C at 760 mmHg
• PKA: 9.37±0.46(Predicted)
• Flash Point: 121.074 °C
• PSA: 56.26000
• Density: 1.156 g/cm³
• LogP: 1.21750
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Light Sensitive
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• 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

Ethyl3-Oxo-3-(pyridin-2-yl)propanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 24/25-22-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(=O)C1=CC=CC=N1

Technology Process of Ethyl 3-oxo-3-(pyridin-2-yl)propanoate

There total 17 articles about Ethyl 3-oxo-3-(pyridin-2-yl)propanoate 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: 91.0%

ethyl-2-picolinate (2524-52-9,1228273-66-2) + ethyl acetate (141-78-6) → ethyl 2-pyridylcarbonylacetate (26510-52-1)

Guidance literature:

ethyl acetate; With sodium ethanolate; In ethanol; toluene; at 26 ℃; for 1h;

ethyl-2-picolinate; In ethanol; toluene; at 90 ℃; for 18h; Heating / reflux;

Reference yield: 91.0%

ethyl-2-picolinate (2524-52-9,1228273-66-2) → ethyl 2-pyridylcarbonylacetate (26510-52-1)

Guidance literature:

ethyl acetate; With ethanol; sodium ethanolate; In toluene; at 26 ℃; for 1h;

ethyl-2-picolinate; In toluene; at 90 ℃; for 18h;

Reference yield: 89.0%

pyridine-2-carbaldehyde (1121-60-4) + diazoacetic acid ethyl ester (623-73-4) → ethyl 2-pyridylcarbonylacetate (26510-52-1)

Guidance literature:

niobium pentachloride; In dichloromethane; at 27 ℃; for 4.5h;

DOI:10.1016/j.tet.2004.11.027

upstream raw materials:

ethyl-2-picolinate

ethyl acetate

2-Picolinic acid

ethyl potassium malonate

Downstream raw materials:

4-phenyl-2-(2'-pyridinyl)quinoline

ethyl β-(4-methoxyanilino)-β-(2-pyridyl)propionate

2-Bromoacetylpyridine