(4alpha,4Abeta,8aalpha)-octahydro-4,8a-dimethyl-4a(2H)-naphthol

Base Information

Chemical Name:(4alpha,4Abeta,8aalpha)-octahydro-4,8a-dimethyl-4a(2H)-naphthol
CAS No.:5173-69-3
Molecular Formula:C₁₂H₂₂O
Molecular Weight:182.306
Hs Code.:
DSSTox Substance ID:DTXSID301186820
Nikkaji Number:J294.557F
Mol file:5173-69-3.mol

Synonyms:DTXSID301186820;EINECS 225-956-8;NS00081519;(4alpha,4Abeta,8aalpha)-octahydro-4,8a-dimethyl-4a(2H)-naphthol

Suppliers and Price of (4alpha,4Abeta,8aalpha)-octahydro-4,8a-dimethyl-4a(2H)-naphthol

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 6 raw suppliers

Chemical Property of (4alpha,4Abeta,8aalpha)-octahydro-4,8a-dimethyl-4a(2H)-naphthol

Chemical Property:

Boiling Point:252.4±8.0 °C(Predicted)
PKA:15.23±0.60(Predicted)
PSA：20.23000
Density:0.985±0.06 g/cm3(Predicted)
LogP:3.11780
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:182.167065321
Heavy Atom Count:13
Complexity:201

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CCCC2(C1(CCCC2)O)C
Isomeric SMILES:C[C@H]1CCC[C@]2([C@]1(CCCC2)O)C

Technology Process of (4alpha,4Abeta,8aalpha)-octahydro-4,8a-dimethyl-4a(2H)-naphthol

There total 18 articles about (4alpha,4Abeta,8aalpha)-octahydro-4,8a-dimethyl-4a(2H)-naphthol 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: 81.0%

: 73428-93-0,132087-77-5
1,4a-dimethyl-trans-3,4,4a,5,6,7,8,8a-otahydronaphthalen-8a-ol

: 5173-69-3,5173-70-6,16423-19-1,16452-32-7,19700-21-1,23333-91-7,104873-46-3,132154-26-8
r-1,c-4a-dimethylperhydronaphthalen-t-8a-ol

Guidance literature:: With hydrogen; platinum(IV) oxide; In ethanol; at 100 ℃; for 36h; under 72200.1 Torr;

Reference yield: 72.0%

: 125107-10-0,125137-16-8
Toluene-4-sulfonic acid (1aS,4aR,8aR)-1a,4a-dimethyl-octahydro-1-oxa-cyclopropa[d]naphthalen-2-yl ester

: 5173-69-3,5173-70-6,16423-19-1,16452-32-7,19700-21-1,23333-91-7,104873-46-3,132154-26-8
(+/-)-Geosmin

Guidance literature:: With lithium aluminium tetrahydride; In tetrahydrofuran; for 3h; Heating;
DOI:10.1016/S0040-4039(00)99122-6

Reference yield:

: 126370-56-7
(+/-)-perhydro-7β,8aβ-dihydroxy-1β-methylnaphthalene-4aα-carbaldehyde

: 5173-69-3,5173-70-6,16423-19-1,16452-32-7,19700-21-1,23333-91-7,104873-46-3,132154-26-8
(+/-)-Geosmin

Guidance literature:: Multi-step reaction with 4 steps

1: Py*TsOH / CH₂Cl₂ / 0.5 h / Ambient temperature

2: 1) N₂H₄; 2) KOH; 3) Py*TsOH / 1) 110 deg C, 30 min; 2) 180 deg C, 1 h; 3) MeOH, 60 deg C, 30 min

3: 90 percent / pyridine / CH₂Cl₂ / 24 h / Ambient temperature

4: Zn powder, NaI / 1,2-dimethoxy-ethane / 4 h / 90 - 95 °C

With pyridine; potassium hydroxide; pyridinium p-toluenesulfonate; sodium iodide; hydrazine; zinc; pyridinium p-toluenesulfonate; In 1,2-dimethoxyethane; dichloromethane;
DOI:10.1002/hlca.19900730114