3-(4,4-Dimethyl-2,6-dioxocyclohexyl)propanenitrile

Base Information

Chemical Name:3-(4,4-Dimethyl-2,6-dioxocyclohexyl)propanenitrile
CAS No.:56576-00-2
Molecular Formula:C₁₁H₁₅NO₂
Molecular Weight:193.246
Hs Code.:
European Community (EC) Number:665-957-4

Synonyms:3-(4,4-dimethyl-2,6-dioxocyclohexyl)propanenitrile;CCG-2114;AKOS024324002;2-(2-CYANOETHYL)-5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE

Suppliers and Price of 3-(4,4-Dimethyl-2,6-dioxocyclohexyl)propanenitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3-(4,4-Dimethyl-2,6-dioxocyclohexyl)propanenitrile

Chemical Property:

XLogP3:0.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:193.110278721
Heavy Atom Count:14
Complexity:289

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1(CC(=O)C(C(=O)C1)CCC#N)C

Technology Process of 3-(4,4-Dimethyl-2,6-dioxocyclohexyl)propanenitrile

There total 1 articles about 3-(4,4-Dimethyl-2,6-dioxocyclohexyl)propanenitrile 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:

: 126-81-8
dimedone

: 107-13-1,25014-41-9
acrylonitrile

: 56576-00-2
3-(4,4-dimethyl-2,6-dioxo-cyclohexyl)-propionitrile

Guidance literature:: With sodium hydroxide;

Reference yield:

: 56576-00-2
3-(4,4-dimethyl-2,6-dioxo-cyclohexyl)-propionitrile

: 13148-87-3
3-hydroxy-5,5-dimethyl-2-(2-oxopropyl)-2-cyclohex-1-one

Guidance literature:: Multi-step reaction with 3 steps

1: KOtBu / 2-methyl-propan-2-ol

2: aq. H₂SO₄, ion-exchange resin 2+ form> / methanol; 2-ethoxy-ethanol

3: KOtBu / 2-methyl-propan-2-ol

With ion-exchange resin 2+ form>; sulfuric acid; potassium tert-butylate; In methanol; 2-ethoxy-ethanol; tert-butyl alcohol;
DOI:10.1139/v75-209

Reference yield:

: 56576-00-2
3-(4,4-dimethyl-2,6-dioxo-cyclohexyl)-propionitrile

: 56576-21-7
3-(4,4-Dimethyl-6-oxo-1-prop-2-ynyl-cyclohex-2-enyl)-propionitrile

Guidance literature:: Multi-step reaction with 3 steps

1: KOtBu / 2-methyl-propan-2-ol

2: NaBH₄ / methanol

3: POCl₃, Py

With pyridine; sodium tetrahydroborate; potassium tert-butylate; trichlorophosphate; In methanol; tert-butyl alcohol;
DOI:10.1139/v75-209