4,4a,5,6,7,8-Hexahydro-4a,8-dimethylnaphthalen-2(3H)-one

Base Information

Chemical Name:4,4a,5,6,7,8-Hexahydro-4a,8-dimethylnaphthalen-2(3H)-one
CAS No.:4071-63-0
Molecular Formula:C12H18O
Molecular Weight:178.274
Hs Code.:2914299000
European Community (EC) Number:223-782-7
NSC Number:126342
DSSTox Substance ID:DTXSID50276031,DTXSID10961113
Nikkaji Number:J217.878H
Wikidata:Q82006347
Mol file:4071-63-0.mol

Synonyms:4,4a,5,6,7,8-Hexahydro-4a,8-dimethylnaphthalen-2(3H)-one;4071-63-0;EINECS 223-782-7;4a,8-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one;17990-00-0;NSC126342;4a,8-dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3h)-one;SCHEMBL11671628;DTXSID10961113;DTXSID50276031;NSC-126342;6S,10R-Dimethylbicyclo[4.4.0]decan-1-en3-one;A826122;Bicyclo[4.4.0]decan-1-en3-one, 6S,10R-dimethyl-;4,4a,5,6,7,8-Hexahydro-4a,8-dimethyl-2(3H)-naphthalenone;(4aS,8R)-4a,8-Dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one

Suppliers and Price of 4,4a,5,6,7,8-Hexahydro-4a,8-dimethylnaphthalen-2(3H)-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 5 raw suppliers

Chemical Property of 4,4a,5,6,7,8-Hexahydro-4a,8-dimethylnaphthalen-2(3H)-one

Chemical Property:

Vapor Pressure:0.00447mmHg at 25°C
Boiling Point:277.6°C at 760 mmHg
Flash Point:115.7°C
PSA：80.67000
Density:0.98g/cm³
LogP:6.83930
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:178.135765193
Heavy Atom Count:13
Complexity:264

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CCCC2(C1=CC(=O)CC2)C

Technology Process of 4,4a,5,6,7,8-Hexahydro-4a,8-dimethylnaphthalen-2(3H)-one

There total 6 articles about 4,4a,5,6,7,8-Hexahydro-4a,8-dimethylnaphthalen-2(3H)-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: 86.0%

: 4071-74-3
2,6-dimethyl-2-(3-oxobutyl)cyclohexanone

: 4071-63-0
rac-4a,8-dimethyl-3,4,4a,5,6,7,8-heptahydronaphthalen-2-one

Guidance literature:: With potassium hydroxide; In ethanol; at 20 ℃; for 1h;
DOI:10.1016/S0040-4020(01)82058-5

Reference yield:

: 2816-57-1
2,6-dimethylcyclohexanone

: 4071-63-0
rac-4a,8-dimethyl-3,4,4a,5,6,7,8-heptahydronaphthalen-2-one

Guidance literature:: Multi-step reaction with 2 steps

1: 50 percent Turnov_. / concd. H₂SO₄ / toluene / 0 °C

2: 82 percent / NaOEt / ethanol / 1 h / 45 - 50 °C

With sodium ethanolate; sulfuric acid; In ethanol; toluene;

Reference yield:

: 2816-57-1
2,6-dimethylcyclohexanone

: 4071-63-0
rac-4a,8-dimethyl-3,4,4a,5,6,7,8-heptahydronaphthalen-2-one

Guidance literature:: Multi-step reaction with 3 steps

1: 93 percent / triethylamine, NaI / acetonitrile / 20 °C

2: 65 percent / boron trifluoride-etherate / nitromethane / 1 h / -20 °C

3: 86 percent / KOH / ethanol / 1 h / 20 °C

With potassium hydroxide; boron trifluoride diethyl etherate; triethylamine; sodium iodide; In nitromethane; ethanol; acetonitrile;
DOI:10.1016/S0040-4020(01)82058-5