6,6-Dimethylbicyclo[3.1.1]heptan-3-one

Base Information

Chemical Name:6,6-Dimethylbicyclo[3.1.1]heptan-3-one
CAS No.:4722-54-7
Molecular Formula:C₉H₁₄O
Molecular Weight:138.21
Hs Code.:
DSSTox Substance ID:DTXSID10487242
Nikkaji Number:J82.257D
Mol file:4722-54-7.mol

Synonyms:6,6-Dimethylbicyclo[3.1.1]heptan-3-one;4722-54-7;Isonopinon;Isonopinone;AGN-PC-0NIHT4;6,6-dimethylnorpinan-3-one;DTXSID10487242;YMCXBJXUNDYDTO-UHFFFAOYSA-N;7,7-dimethyl-bicyclo[3.1.1]heptan-3-one;CS-0090722

Suppliers and Price of 6,6-Dimethylbicyclo[3.1.1]heptan-3-one

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 1 raw suppliers

Chemical Property of 6,6-Dimethylbicyclo[3.1.1]heptan-3-one

Chemical Property:

PSA：17.07000
LogP:2.01160
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:138.104465066
Heavy Atom Count:10
Complexity:165

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C2CC1CC(=O)C2)C

Technology Process of 6,6-Dimethylbicyclo[3.1.1]heptan-3-one

There total 17 articles about 6,6-Dimethylbicyclo[3.1.1]heptan-3-one 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:

: 38651-65-9
(1R,5S)-(+)-nopinone

: 4722-54-7,30469-21-7
Isonopinon

Guidance literature:: Multi-step reaction with 3 steps

1: caesium carbonate / toluene; 1,4-dioxane

2: dichloro(1,5-cyclooctadiene)palladium(II); caesium carbonate; C11H15NO; 2′-(diphenylphosphino)-N,N′-dimethyl-(1,1′-biphenyl)-2-amine; 3,5-bis(trifluoromethyl)pyridin-2(1H)-one / toluene / 24 h / 100 °C

3: water / toluene / Acidic conditions

With dichloro(1,5-cyclooctadiene)palladium(II); 3,5-bis(trifluoromethyl)pyridin-2(1H)-one; water; C₁₁H₁₅NO; caesium carbonate; 2′-(diphenylphosphino)-N,N′-dimethyl-(1,1′-biphenyl)-2-amine; In 1,4-dioxane; toluene;
DOI:10.1126/science.abl7854

Reference yield:

: 610300-79-3
(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl trifluoromethanesulfonate

: 4722-54-7,30469-21-7
Isonopinon

Guidance literature:: Multi-step reaction with 2 steps

1: dichloro(1,5-cyclooctadiene)palladium(II); caesium carbonate; C11H15NO; 2′-(diphenylphosphino)-N,N′-dimethyl-(1,1′-biphenyl)-2-amine; 3,5-bis(trifluoromethyl)pyridin-2(1H)-one / toluene / 24 h / 100 °C

2: water / toluene / Acidic conditions

With dichloro(1,5-cyclooctadiene)palladium(II); 3,5-bis(trifluoromethyl)pyridin-2(1H)-one; water; C₁₁H₁₅NO; caesium carbonate; 2′-(diphenylphosphino)-N,N′-dimethyl-(1,1′-biphenyl)-2-amine; In toluene;
DOI:10.1126/science.abl7854