Ethyl 4,4-dimethyl-3-oxo-hex-5-enoate

Base Information

Chemical Name:Ethyl 4,4-dimethyl-3-oxo-hex-5-enoate
CAS No.:66248-79-1
Molecular Formula:C10H16O3
Molecular Weight:184.235
Hs Code.:
DSSTox Substance ID:DTXSID70443682
Nikkaji Number:J1.477.526I
Wikidata:Q82261585
Mol file:66248-79-1.mol

Synonyms:Ethyl 4,4-dimethyl-3-oxo-hex-5-enoate;66248-79-1;ETHYL 4,4-DIMETHYL-3-OXOHEX-5-ENOATE;4,4-dimethyl-3-oxo-hex-5-enoic acid ethyl ester;SCHEMBL65718;DTXSID70443682;HPFGMNPZLRHTIP-UHFFFAOYSA-N;3-Oxo-4,4-dimethyl-5-hexenoic acid ethyl ester

Suppliers and Price of Ethyl 4,4-dimethyl-3-oxo-hex-5-enoate

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 Ethyl 4,4-dimethyl-3-oxo-hex-5-enoate

Chemical Property:

Boiling Point:88-91 °C(Press: 3 Torr)
PKA:10.49±0.46(Predicted)
PSA：43.37000
Density:0.972±0.06 g/cm3(Predicted)
LogP:1.72090
XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:184.109944368
Heavy Atom Count:13
Complexity:216

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CC(=O)C(C)(C)C=C

Technology Process of Ethyl 4,4-dimethyl-3-oxo-hex-5-enoate

There total 13 articles about Ethyl 4,4-dimethyl-3-oxo-hex-5-enoate 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%

: 57690-96-7
2,2-dimethylbut-3-enoyl chloride

: 1071-46-1
hydrogen ethyl malonate

: 66248-79-1
ethyl 4,4-dimethyl-3-oxo-hex-5-enoate

Guidance literature:: hydrogen ethyl malonate; With [2,2]bipyridinyl; n-butyllithium; In tetrahydrofuran; hexane; at -70 - -10 ℃;

2,2-dimethylbut-3-enoyl chloride; In tetrahydrofuran; hexane; at -60 - 0 ℃; for 3h;