4a,8a-Dimethyl-7-(prop-1-en-2-yl)octahydronaphthalen-2(1h)-one

Base Information

Chemical Name:4a,8a-Dimethyl-7-(prop-1-en-2-yl)octahydronaphthalen-2(1h)-one
CAS No.:20489-53-6
Molecular Formula:C₁₅H₂₄O
Molecular Weight:220.355
Hs Code.:2914299000
NSC Number:126330
DSSTox Substance ID:DTXSID50298814
Metabolomics Workbench ID:45337
Mol file:20489-53-6.mol

Synonyms:15188-34-8;4a,8a-dimethyl-7-(prop-1-en-2-yl)octahydronaphthalen-2(1h)-one;NSC126330;DTXSID50298814;NSC-126330;4a,8a-dimethyl-7-(prop-1-en-2-yl)-decahydronaphthalen-2-one

Suppliers and Price of 4a,8a-Dimethyl-7-(prop-1-en-2-yl)octahydronaphthalen-2(1h)-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 4a,8a-Dimethyl-7-(prop-1-en-2-yl)octahydronaphthalen-2(1h)-one

Chemical Property:

Vapor Pressure:0.00117mmHg at 25°C
Boiling Point:299.7°C at 760 mmHg
Flash Point:122.1°C
PSA：17.07000
Density:0.936g/cm³
LogP:3.98410
XLogP3:4.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:220.182715385
Heavy Atom Count:16
Complexity:330

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=C)C1CCC2(CCC(=O)CC2(C1)C)C

Technology Process of 4a,8a-Dimethyl-7-(prop-1-en-2-yl)octahydronaphthalen-2(1h)-one

There total 5 articles about 4a,8a-Dimethyl-7-(prop-1-en-2-yl)octahydronaphthalen-2(1h)-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:

: 4674-50-4
(+)-nootkatone

: 20489-53-6
1,10β-Dihydro-2-oxo-11,12-anhydro-kusunol

Guidance literature:: With palladium 10% on activated carbon; hydrogen; sodium hydroxide; In ethanol; water; under 750.075 Torr;
DOI:10.1055/s-0029-1219206

Reference yield:

: 20489-45-6,800385-99-3
11-hydroxy-4α,5α,7β-eremophil-1(10)-ene

: 20489-53-6
1,10β-Dihydro-2-oxo-11,12-anhydro-kusunol

Guidance literature:: Multi-step reaction with 3 steps

1: (tBuO)2CrO₂, Ac₂O / acetic acid; CCl₄

2: LiNH₂, liq. NH₃ / diethyl ether

3: POCl₃, Py

With pyridine; lithium amide; ammonia; acetic anhydride; trichlorophosphate; In tetrachloromethane; diethyl ether; acetic acid;
DOI:10.1248/cpb.16.832

Reference yield:

: 20489-50-3
(4R,6R,10S)-4,10-dimethyl-6-(1‘-hydroxyisopropyl)-1-en-3,4,5,6,7,8-hexahydronaphthalen-2-one

: 20489-53-6
1,10β-Dihydro-2-oxo-11,12-anhydro-kusunol

Guidance literature:: Multi-step reaction with 2 steps

1: LiNH₂, liq. NH₃ / diethyl ether

2: POCl₃, Py

With pyridine; lithium amide; ammonia; trichlorophosphate; In diethyl ether;
DOI:10.1248/cpb.16.832