Ethyl 2-oxo-4-(pyridin-4-yl)but-3-enoate

Base Information

Chemical Name:Ethyl 2-oxo-4-(pyridin-4-yl)but-3-enoate
CAS No.:497265-22-2
Molecular Formula:C11H11NO3
Molecular Weight:205.21000
Hs Code.:
DSSTox Substance ID:DTXSID00696482
Mol file:497265-22-2.mol

Synonyms:Ethyl 2-oxo-4-(pyridin-4-yl)but-3-enoate;ethyl 2-oxo-4-pyridin-4-ylbut-3-enoate;497265-22-2;DTXSID00696482;ethyl 2-oxo-4-(4-pyridyl)butenoate

Suppliers and Price of Ethyl 2-oxo-4-(pyridin-4-yl)but-3-enoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of Ethyl 2-oxo-4-(pyridin-4-yl)but-3-enoate

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:342.287oC at 760 mmHg
Flash Point:160.81oC
PSA：56.26000
Density:1.181g/cm3
LogP:1.22700
XLogP3:1.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:205.07389321
Heavy Atom Count:15
Complexity:255

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(=O)C=CC1=CC=NC=C1

Technology Process of Ethyl 2-oxo-4-(pyridin-4-yl)but-3-enoate

There total 4 articles about Ethyl 2-oxo-4-(pyridin-4-yl)but-3-enoate 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: 53.0%

: 64-17-5
ethanol

: ethyl 2,2-diethoxy-4-(4-pyridyl)butenoate

: 497265-22-2
ethyl 2-oxo-4-(4-pyridyl)butenoate

Guidance literature:: ethanol; ethyl 2,2-diethoxy-4-(4-pyridyl)butenoate; With thionyl chloride; at 20 ℃; for 48h;

With iron(III) chloride; In dichloromethane; for 0.666667h; Heating;
DOI:10.1023/A:1015679118975

Reference yield: 31.0%

: 64-17-5
ethanol

: 2-oxo-4-(4-pyridyl)butenoic acid sodium salt

: 497265-22-2
ethyl 2-oxo-4-(4-pyridyl)butenoate

: ethyl 2,2-diethoxy-4-(4-pyridyl)butenoate

Guidance literature:: With thionyl chloride; at 20 ℃; for 48h;
DOI:10.1023/A:1015679118975

Reference yield:

: 872-85-5
pyridine-4-carbaldehyde

: 497265-22-2
ethyl 2-oxo-4-(4-pyridyl)butenoate

Guidance literature:: Multi-step reaction with 2 steps

1: 36 percent / aq. NaOH / 3 h / 20 °C / pH 9 - 10

2: SOCl₂ / 48 h / 20 °C

With sodium hydroxide; thionyl chloride;
DOI:10.1023/A:1015679118975