Ethyl 2-benzoylhexanoate

Base Information

Chemical Name:Ethyl 2-benzoylhexanoate
CAS No.:6134-71-0
Molecular Formula:C15H20O3
Molecular Weight:248.322
Hs Code.:2918300090
NSC Number:171188
DSSTox Substance ID:DTXSID80305580
Nikkaji Number:J102.941J
Mol file:6134-71-0.mol

Synonyms:6134-71-0;Ethyl 2-benzoylhexanoate;NSC171188;Hexanoic acid, 2-benzoyl-, ethyl ester;Ethyl 2-benzoylhexanoate #;DTXSID80305580;PRTRNADIOWYQGB-UHFFFAOYSA-N;Benzenepropanoic acid, .alpha.-butyl-.beta.-oxo-, ethyl ester;NSC-171188

Suppliers and Price of Ethyl 2-benzoylhexanoate

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 6 raw suppliers

Chemical Property of Ethyl 2-benzoylhexanoate

Chemical Property:

Vapor Pressure:0.00018mmHg at 25°C
Boiling Point:329.2°Cat760mmHg
PKA:11.27±0.26(Predicted)
Flash Point:140.7°C
PSA：43.37000
Density:1.033g/cm³
LogP:3.23880
XLogP3:4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:8
Exact Mass:248.14124450
Heavy Atom Count:18
Complexity:267

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC(C(=O)C1=CC=CC=C1)C(=O)OCC

Technology Process of Ethyl 2-benzoylhexanoate

There total 9 articles about Ethyl 2-benzoylhexanoate 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: 90.0%

: 7391-39-1
ethyl 2-cyanohexanoate

: 98-80-6
phenylboronic acid

: 942-92-7
caprophenone

: 6134-71-0
ethyl 2-butyl-3-oxo-3-phenylpropanoate

Guidance literature:: With trifluorormethanesulfonic acid; water; palladium diacetate; 2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine; In 1,4-dioxane; at 60 ℃; for 12h; Solvent; Catalytic behavior;
DOI:10.1039/c5nj01597a

Reference yield: 15.0%

: 623-73-4
diazoacetic acid ethyl ester

: 1009-14-9
phenyl butyl ketone

: 6134-71-0
ethyl 2-butyl-3-oxo-3-phenylpropanoate

: ethyl 3-oxo-2-phenylheptanoate

: C₁₅H₂₀O₃

Guidance literature:: phenyl butyl ketone; With tetrafluoroboric acid diethyl ether; In dichloromethane; at -78 ℃; for 1h; Inert atmosphere; Schlenk technique;

diazoacetic acid ethyl ester; In dichloromethane; at 20 ℃; for 72h; Inert atmosphere; Schlenk technique;
DOI:10.1021/acs.joc.0c02972

Reference yield:

: 2414-98-4
magnesium ethylate

: 100-44-7
benzyl chloride

: 6134-71-0
ethyl 2-butyl-3-oxo-3-phenylpropanoate

Guidance literature:: With diethyl ether; Erwaermen des danach isolierten Reaktionsprodukts mit Toluol-sulfonsaeure-⁽⁴⁾ in Benzol;
DOI:10.1021/ja01236a022