Ethyl 2-oxoheptanoate

Base Information

Chemical Name:Ethyl 2-oxoheptanoate
CAS No.:13088-50-1
Molecular Formula:C9H16O3
Molecular Weight:172.2215
Hs Code.:2918300090
ChEMBL ID:CHEMBL171823
DSSTox Substance ID:DTXSID00471630
Nikkaji Number:J132.366K
Wikidata:Q72476506
Mol file:13088-50-1.mol

Synonyms:Ethyl 2-oxoheptanoate;13088-50-1;Heptanoic acid, 2-oxo-, ethyl ester;Ethyl2-oxoheptanoate;CHEMBL171823;SCHEMBL3014656;2-Oxoheptanoic acid ethyl ester;2-Oxo-heptanoic acid ethyl ester;DTXSID00471630;FQBGVMOKNNQVLU-UHFFFAOYSA-N;AKOS006318560;AM85553;AS-62264;Y11380;A888656

Suppliers and Price of Ethyl 2-oxoheptanoate

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

Crysdot
Ethyl2-oxoheptanoate 95+%
5g
$ 831.00

American Custom Chemicals Corporation
ETHYL-2-OXOHEPTANOATE 95.00%
5MG
$ 504.86

Total 20 raw suppliers

Chemical Property of Ethyl 2-oxoheptanoate

Chemical Property:

Boiling Point:231.599 °C at 760 mmHg
Flash Point:90.802 °C
PSA：43.37000
Density:0.969 g/cm³
LogP:1.69890
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:172.109944368
Heavy Atom Count:12
Complexity:152

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-oxoheptanoate 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCC(=O)C(=O)OCC

Technology Process of Ethyl 2-oxoheptanoate

There total 9 articles about Ethyl 2-oxoheptanoate 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: 94.0%

: 64-17-5
ethanol

: 13088-48-7
2-oxoheptanoic acid

: 13088-50-1
ethyl 2-oxoheptanoate

Guidance literature:: With toluene-4-sulfonic acid; In toluene; for 6h; Heating;
DOI:10.1055/s-1981-29479

Reference yield: 72.0%

: 693-25-4
n-pentylmagnesium bromide

: 95-92-1
oxalic acid diethyl ester

: 13088-50-1
ethyl 2-oxoheptanoate

Guidance literature:: In diethyl ether; at -78 ℃; for 2h;
DOI:10.1021/ja8069852

Reference yield: 23.0%

: 693-25-4
n-pentylmagnesium bromide

: 4755-77-5
Ethyl oxalyl chloride

: 13088-50-1
ethyl 2-oxoheptanoate

Guidance literature:: n-pentylmagnesium bromide; Ethyl oxalyl chloride; With copper(I) bromide; lithium iodide; In tetrahydrofuran; at -78 - 20 ℃; for 0.166667h;

With water; In tetrahydrofuran; at 20 ℃;