4,4-Diethylcyclohex-2-enone

Base Information

Chemical Name:4,4-Diethylcyclohex-2-enone
CAS No.:35161-14-9
Molecular Formula:C10H16O
Molecular Weight:152.236
Hs Code.:2914299000
European Community (EC) Number:636-871-4
DSSTox Substance ID:DTXSID80499998
Wikidata:Q82351310
Mol file:35161-14-9.mol

Synonyms:4,4-Diethylcyclohex-2-enone;35161-14-9;4,4-Diethylcyclohex-2-en-1-one;4,4-diethyl-cyclohex-2-enone;SCHEMBL1857587;DTXSID80499998;ZMNPBXGWZOROKH-UHFFFAOYSA-N;4,4-diethyl-2-cyclohexen-1-one;EN300-160269;J-513994

Suppliers and Price of 4,4-Diethylcyclohex-2-enone

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
4,4-Diethylcyclohex-2-en-1-one
50mg
$ 175.00

Crysdot
4,4-Diethylcyclohex-2-enone 95+%
1g
$ 510.00

Chemenu
4,4-diethylcyclohex-2-en-1-one 95%
1g
$ 482.00

American Custom Chemicals Corporation
4,4-DIETHYLCYCLOHEX-2-ENONE 95.00%
5MG
$ 496.54

Total 9 raw suppliers

Chemical Property of 4,4-Diethylcyclohex-2-enone

Chemical Property:

PSA：17.07000
LogP:2.71190
Storage Temp.:2-8°C
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:152.120115130
Heavy Atom Count:11
Complexity:175

Purity/Quality:

≥95% ^*data from raw suppliers

4,4-Diethylcyclohex-2-en-1-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1(CCC(=O)C=C1)CC

Technology Process of 4,4-Diethylcyclohex-2-enone

There total 5 articles about 4,4-Diethylcyclohex-2-enone 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: 75.0%

: 97-96-1
2-Ethylbutyraldehyde

: 78-94-4,25038-87-3
methyl vinyl ketone

: 35161-14-9
4,4-Diaethyl-2-cyclohexen-1-on

Guidance literature:: With sulfuric acid; In benzene; 1.) room temp. to reflux, 1h, 2.) reflux, 3h;
DOI:10.1021/jo01314a048

Reference yield:

: 116950-01-7
(2S,3S,8aR)-Hexahydro-3-(hydroxymethyl)-8a-methyl-2-phenyl-5-oxo-5H-oxazolo<3,2-a>pyridine

: 35161-14-9
4,4-Diaethyl-2-cyclohexen-1-on

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) lithium diisopropylamide / 1.) THF, hexane, -78 deg C, 2.) a) -78 deg C, 55 min, b) 0 deg C, 40 min

2: 1.) lithium diisopropylamide / 1.) THF, hexane, 0 deg C, 3 h, 2.) a) THF, -78 deg C, 2.5 h, b) from -50 deg C to -30 deg C, 45 min

3: 1.) 1 M Red-Al, 2.) 1 M aq. tetrabutylammonium dihydrogen phosphate / 1.) toluene, RT, 3 d, 2.) ethanol, reflux, 24 h

With tetrabutylammonium dihydrogen phosphate; sodium bis(2-methoxyethoxy)aluminium dihydride; lithium diisopropyl amide;
DOI:10.1021/jo00280a040

Reference yield:

: (2S,3S,8aR)-6-Ethyl-3-hydroxymethyl-8a-methyl-2-phenyl-hexahydro-oxazolo[3,2-a]pyridin-5-one

: 35161-14-9
4,4-Diaethyl-2-cyclohexen-1-on

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) lithium diisopropylamide / 1.) THF, hexane, 0 deg C, 3 h, 2.) a) THF, -78 deg C, 2.5 h, b) from -50 deg C to -30 deg C, 45 min

2: 1.) 1 M Red-Al, 2.) 1 M aq. tetrabutylammonium dihydrogen phosphate / 1.) toluene, RT, 3 d, 2.) ethanol, reflux, 24 h

With tetrabutylammonium dihydrogen phosphate; sodium bis(2-methoxyethoxy)aluminium dihydride; lithium diisopropyl amide;
DOI:10.1021/jo00280a040