2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-4,8a-dimethyl-6-(1-methylethenyl)-, [4aS-(4aalpha,6alpha,8aalpha)]-

Base Information

Chemical Name:2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-4,8a-dimethyl-6-(1-methylethenyl)-, [4aS-(4aalpha,6alpha,8aalpha)]-
CAS No.:86917-80-8
Molecular Formula:C₁₅H₂₂O
Molecular Weight:218.339
Hs Code.:
DSSTox Substance ID:DTXSID601113573
Wikidata:Q105121412

Synonyms:DTXSID601113573;2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-4,8a-dimethyl-6-(1-methylethenyl)-, [4aS-(4aalpha,6alpha,8aalpha)]-;86917-80-8

Suppliers and Price of 2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-4,8a-dimethyl-6-(1-methylethenyl)-, [4aS-(4aalpha,6alpha,8aalpha)]-

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 0 raw suppliers

Chemical Property of 2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-4,8a-dimethyl-6-(1-methylethenyl)-, [4aS-(4aalpha,6alpha,8aalpha)]-

Chemical Property:

XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:218.167065321
Heavy Atom Count:16
Complexity:364

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC(=O)CC2(C1CC(CC2)C(=C)C)C
Isomeric SMILES:CC1=CC(=O)C[C@]2([C@@H]1C[C@@H](CC2)C(=C)C)C

Technology Process of 2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-4,8a-dimethyl-6-(1-methylethenyl)-, [4aS-(4aalpha,6alpha,8aalpha)]-

There total 3 articles about 2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-4,8a-dimethyl-6-(1-methylethenyl)-, [4aS-(4aalpha,6alpha,8aalpha)]- 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: 91.0%

: 76784-81-1
2-Isopropenyl-4a,8-dimethyl-6-methylsulfanyl-1,2,3,4,4a,5-hexahydro-naphthalene

: 76784-84-4,86917-79-5,86917-80-8,86917-81-9,86941-63-1,117192-93-5,138283-56-4
(4aS,8aR)-6-Isopropenyl-4,8a-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one

Guidance literature:: With mercury dichloride; In water; acetonitrile; at 50 - 80 ℃;
DOI:10.1246/cl.1980.1099

Reference yield: 45.0%

: 3-isopropenyl-5,8a-dimethyl-7-methylthio-1,2,3,4,8,8a-hexahydronaphthalene

: 86917-79-5
(+)-(4aR,6R,8aS)-6-isopropenyl-4,8a-dimethyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalenone

: 86917-80-8
(-)-(4aS,6R,8aS)-6-isopropenyl-4,8a-dimethyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalenone

Guidance literature:: With mercury dichloride; In water; acetonitrile; at 60 ℃; for 1.5h;
DOI:10.1002/hlca.19830660507

Reference yield:

: 76784-77-5
C₂₂H₃₀N₂O₂S

: 76784-84-4,86917-79-5,86917-80-8,86917-81-9,86941-63-1,117192-93-5,138283-56-4
(4aS,8aR)-6-Isopropenyl-4,8a-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one

Guidance literature:: Multi-step reaction with 2 steps

2: 91 percent / HgCl₂ / acetonitrile; H₂O / 50 - 80 °C

With mercury dichloride; In water; acetonitrile;
DOI:10.1246/cl.1980.1099