Ethyl 2-(isonicotinoyl)-5-oxohexanoate

Base Information

Chemical Name:Ethyl 2-(isonicotinoyl)-5-oxohexanoate
CAS No.:94089-25-5
Molecular Formula:C14H17 N O4
Molecular Weight:263.293
Hs Code.:

Synonyms:SCHEMBL11395291;KZAOHLKSKIFDCS-UHFFFAOYSA-N;ethyl 2-(isonicotinoyl)-5-oxohexanoate;ethyl 5-oxo-2-[(4-pyridinyl)carbonyl]hexanoate;ethyl 5-oxo-2-[(4-pyridinyl)-carbonyl]hexanoate

Suppliers and Price of Ethyl 2-(isonicotinoyl)-5-oxohexanoate

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 7 raw suppliers

Chemical Property of Ethyl 2-(isonicotinoyl)-5-oxohexanoate

Chemical Property:

XLogP3:1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:263.11575802
Heavy Atom Count:19
Complexity:334

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Ethyl 2-(isonicotinoyl)-5-oxohexanoate

There total 2 articles about Ethyl 2-(isonicotinoyl)-5-oxohexanoate 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: 100.0%

: 26377-17-3
ethyl 3-oxo-3-(4-pyridyl)propanoate

: 78-94-4,25038-87-3
methyl vinyl ketone

: 94089-25-5
ethyl 5-oxo-2-[(4-pyridinyl)-carbonyl]hexanoate

Guidance literature:: With sodium methylate; In methanol; benzene; at 26 - 30 ℃; for 5h;
DOI:10.1002/jhet.5570210654

Reference yield:

: 1570-45-2
isonicotinic acid ethylester

: 94089-25-5
ethyl 5-oxo-2-[(4-pyridinyl)-carbonyl]hexanoate

Guidance literature:: Multi-step reaction with 2 steps

1: 90 percent / NaH, ethanol / 17 h / Heating

2: 100 percent / sodium methoxide / benzene; methanol / 5 h / 26 - 30 °C

With ethanol; sodium methylate; sodium hydride; In methanol; benzene;
DOI:10.1002/jhet.5570210654

Reference yield:

: 94089-25-5
ethyl 5-oxo-2-[(4-pyridinyl)-carbonyl]hexanoate

: 40034-44-4
3-(pyridin-4-yl)benzenamine

Guidance literature:: Multi-step reaction with 4 steps

1: aq. H₂SO₄ / 15 h / 95 °C

2: 93 percent / hydroxylamine hydrochloride, pyridine / 2.5 h / Heating

3: HCl gas / acetic acid / 6 h / Heating

4: aq. NaOH / ethanol / 6 h / Heating; overnight

With pyridine; hydrogenchloride; sodium hydroxide; sulfuric acid; hydroxylamine hydrochloride; In ethanol; acetic acid;
DOI:10.1002/jhet.5570210654