Ethyl 5-oxoheptanoate

Base Information

Chemical Name:Ethyl 5-oxoheptanoate
CAS No.:70432-50-7
Molecular Formula:C9H16O3
Molecular Weight:172.22200
Hs Code.:2918300090
European Community (EC) Number:860-513-8
DSSTox Substance ID:DTXSID40500094
Nikkaji Number:J132.380F
Wikidata:Q82351452
Mol file:70432-50-7.mol

Synonyms:ETHYL 5-OXOHEPTANOATE;70432-50-7;MFCD01320338;ETHYL5-OXOHEPTANOATE;SCHEMBL3947515;5-Oxoheptanoic acid ethyl ester;DTXSID40500094;AKOS006278162;EN300-7540930

Suppliers and Price of Ethyl 5-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

Rieke Metals
Ethyl5-oxoheptanoate 97%
1g
$ 366.00

Rieke Metals
Ethyl5-oxoheptanoate 97%
2g
$ 618.00

Rieke Metals
Ethyl5-oxoheptanoate 97%
5g
$ 1514.00

Matrix Scientific
Ethyl 5-oxoheptanoate 97%
5g
$ 1412.00

Matrix Scientific
Ethyl 5-oxoheptanoate 97%
2g
$ 614.00

Matrix Scientific
Ethyl 5-oxoheptanoate 97%
1g
$ 385.00

Crysdot
Ethyl5-oxoheptanoate 95+%
1g
$ 381.00

Crysdot
Ethyl5-oxoheptanoate 95+%
5g
$ 1401.00

American Custom Chemicals Corporation
ETHYL 5-OXOHEPTANOATE 95.00%
10G
$ 3395.70

American Custom Chemicals Corporation
ETHYL 5-OXOHEPTANOATE 95.00%
5G
$ 2243.59

Total 4 raw suppliers

Chemical Property of Ethyl 5-oxoheptanoate

Chemical Property:

Vapor Pressure:0.036mmHg at 25°C
Boiling Point:241.4oC at 760 mmHg
Flash Point:98.6oC
PSA：43.37000
Density:0.969g/cm3
LogP:1.69890
XLogP3:0.9
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

Ethyl5-oxoheptanoate 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCC(=O)CCCC(=O)OCC

Technology Process of Ethyl 5-oxoheptanoate

There total 7 articles about Ethyl 5-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: 98.0%

: 38049-10-4
ethyl 5-oxo-6-heptenoate

: 70432-50-7
ethyl 5-oxoheptanoate

Guidance literature:: With 10% Pd/C; hydrogen; In ethyl acetate; at 20 ℃; for 4h; Schlenk technique; Inert atmosphere;
DOI:10.1002/adsc.201200258

Reference yield: 72.0%

: 1193-55-1
2-methylcyclohexane-1,3-dione

: 64-17-5
ethanol

: 70432-50-7
ethyl 5-oxoheptanoate

Guidance literature:: With tropylium tetrafluoroborate; In neat (no solvent); at 100 ℃; for 16h; Solvent; Temperature; Inert atmosphere;
DOI:10.1039/C8CC07329E

Reference yield:

: 2969-81-5
Ethyl 4-bromobutyrate

: 70432-50-7
ethyl 5-oxoheptanoate

Guidance literature:: Multi-step reaction with 3 steps

1.1: sodium iodide / acetone / 60 °C / Schlenk technique; Inert atmosphere

2.1: copper; zinc / N,N-dimethyl acetamide; toluene / 20 - 80 °C / Schlenk technique; Inert atmosphere

2.2: 4 h / Schlenk technique; Inert atmosphere

3.1: 10% Pd/C; hydrogen / ethyl acetate / 4 h / 20 °C / Schlenk technique; Inert atmosphere

With 10% Pd/C; hydrogen; copper; sodium iodide; zinc; In N,N-dimethyl acetamide; ethyl acetate; acetone; toluene; 2.1: |Finkelstein Reaction;
DOI:10.1002/adsc.201200258