2-heptylquinolin-4(1H)-one

Base Information

Chemical Name:2-heptylquinolin-4(1H)-one
CAS No.:2503-80-2
Molecular Formula:C₁₆H₂₁NO
Molecular Weight:243.349
Hs Code.:
DSSTox Substance ID:DTXSID00179740
Nikkaji Number:J147.305K,J227.968A
Wikidata:Q55973990,Q74417235
Metabolomics Workbench ID:62071
ChEMBL ID:CHEMBL527817
Mol file:2503-80-2.mol

Synonyms:2-heptyl-4-hydroxyquinoline;MY 12-62c;MY-12-62c;MY12-62c

Suppliers and Price of 2-heptylquinolin-4(1H)-one

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 4 raw suppliers

Chemical Property of 2-heptylquinolin-4(1H)-one

Chemical Property:

Vapor Pressure:2.07E-05mmHg at 25°C
Boiling Point:361.5°Cat760mmHg
PKA:4.49±0.40(Predicted)
Flash Point:124.9°C
PSA：33.12000
Density:1.013g/cm³
LogP:4.45330
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:243.162314293
Heavy Atom Count:18
Complexity:308

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCC1=CC(=O)C2=CC=CC=C2N1
Uses 2-Heptyl-4-quinolinol is an antibiotic metabolite produced from a marine pseudomonad.

Technology Process of 2-heptylquinolin-4(1H)-one

There total 5 articles about 2-heptylquinolin-4(1H)-one 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:

: 16662-90-1
3-(2-aminophenyl)-3-oxopropanoic acid

: 1264-52-4
octanoyl coenzyme A

: 2503-80-2
4-hydroxy-2-heptylquinoline

Guidance literature:: With PqsB; at 37 ℃; for 1h; pH=7.6; Enzymatic reaction;
DOI:10.1016/j.chembiol.2013.09.021

Reference yield:

: 52119-39-8
ethyl (2-nitrobenzoyl)acetate

: 2503-80-2
4-hydroxy-2-heptylquinoline

Guidance literature:: Multi-step reaction with 3 steps

1: sulfuric acid / water / 20 °C

2: hydrogen; ammonium hydroxide; 5%-palladium/activated carbon / isopropyl alcohol / 1.5 h / 1292.9 Torr

3: PqsB / 1 h / 37 °C / pH 7.6 / Enzymatic reaction

With ammonium hydroxide; sulfuric acid; 5%-palladium/activated carbon; PqsB; hydrogen; In water; isopropyl alcohol;
DOI:10.1016/j.chembiol.2013.09.021

Reference yield:

: 22751-16-2
2-nitrobenzoylacetic acid

: 2503-80-2
4-hydroxy-2-heptylquinoline

Guidance literature:: Multi-step reaction with 2 steps

1: hydrogen; ammonium hydroxide; 5%-palladium/activated carbon / isopropyl alcohol / 1.5 h / 1292.9 Torr

2: PqsB / 1 h / 37 °C / pH 7.6 / Enzymatic reaction

With ammonium hydroxide; 5%-palladium/activated carbon; PqsB; hydrogen; In isopropyl alcohol;
DOI:10.1016/j.chembiol.2013.09.021