Ethyl 4-methyl-3-oxohexanoate

Base Information

Chemical Name:Ethyl 4-methyl-3-oxohexanoate
CAS No.:98192-72-4
Molecular Formula:C9H16O3
Molecular Weight:172.224
Hs Code.:
European Community (EC) Number:816-996-2
Nikkaji Number:J1.785.695B
Mol file:98192-72-4.mol

Synonyms:ethyl 4-methyl-3-oxohexanoate;98192-72-4;ethyl4-methyl-3-oxohexanoate;SCHEMBL2003743;KHIHEUAINZCGRS-UHFFFAOYSA-N;AKOS013027997;CS-0239034;EN300-204596;G54200

Suppliers and Price of Ethyl 4-methyl-3-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

TRC
ethyl4-methyl-3-oxohexanoate
100mg
$ 220.00

AK Scientific
Ethyl4-methyl-3-oxohexanoate
10g
$ 2582.00

AK Scientific
Ethyl4-methyl-3-oxohexanoate
100mg
$ 262.00

Total 4 raw suppliers

Chemical Property of Ethyl 4-methyl-3-oxohexanoate

Chemical Property:

Boiling Point:213.2±8.0 °C(Predicted)
PKA:10.42±0.46(Predicted)
PSA：43.37000
Density:0.967±0.06 g/cm3(Predicted)
LogP:1.55480
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:172.109944368
Heavy Atom Count:12
Complexity:163

Purity/Quality:

99% ^*data from raw suppliers

ethyl4-methyl-3-oxohexanoate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(C)C(=O)CC(=O)OCC

Technology Process of Ethyl 4-methyl-3-oxohexanoate

There total 9 articles about Ethyl 4-methyl-3-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%

: 5856-79-1,57526-28-0
iso-butyl chloroformate

: 98192-72-4
DL-ethyl 2-methylbutyrylacetate

Guidance literature:: hydrogen ethyl malonate; With [2,2]bipyridinyl; n-butyllithium; In tetrahydrofuran; hexanes; at -70 ℃; for 1.5h;

iso-butyl chloroformate; In tetrahydrofuran; hexanes; at 20 ℃;

Reference yield: 97.0%

: 623-73-4
diazoacetic acid ethyl ester

: 96-17-3,57456-98-1
2-Methylbutyraldehyde

: 98192-72-4
DL-ethyl 2-methylbutyrylacetate

Guidance literature:: With tin(ll) chloride; In dichloromethane; at 25 ℃; for 4h;
DOI:10.1055/s-2007-990883

Reference yield: 90.0%

: 1-imidazol-1-yl-2-methyl-butan-1-one

: 6148-64-7
ethyl potassium malonate

: 98192-72-4
DL-ethyl 2-methylbutyrylacetate

Guidance literature:: ethyl potassium malonate; With magnesium chloride; In tetrahydrofuran; at 60 ℃; for 5h;

1-imidazol-1-yl-2-methyl-butan-1-one; In tetrahydrofuran; at 50 ℃; for 5.5h;
DOI:10.3390/molecules24244497