(6S,7S)-3,5,5,6,7,8,8-heptamethyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde

Base Information

Chemical Name:(6S,7S)-3,5,5,6,7,8,8-heptamethyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
CAS No.:167254-80-0
Molecular Formula:C₁₈H₂₆O
Molecular Weight:258.404
Hs Code.:
DSSTox Substance ID:DTXSID401133648
Nikkaji Number:J1.216.573K
Mol file:167254-80-0.mol

Synonyms:SCHEMBL5611213;ZIASQZKMMDNGSU-STQMWFEESA-N;DTXSID401133648;(6S,7S)-3,5,5,6,7,8,8-heptamethyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde;167254-80-0;(6S,7S)-5,6,7,8-Tetrahydro-3,5,5,6,7,8,8-heptamethyl-2-naphthalenecarboxaldehyde

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Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of (6S,7S)-3,5,5,6,7,8,8-heptamethyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde

Chemical Property:

XLogP3:5.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:258.198365449
Heavy Atom Count:19
Complexity:355

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1C(C(C2=C(C1(C)C)C=C(C(=C2)C=O)C)(C)C)C
Isomeric SMILES:C[C@H]1[C@@H](C(C2=C(C1(C)C)C=C(C(=C2)C=O)C)(C)C)C

Technology Process of (6S,7S)-3,5,5,6,7,8,8-heptamethyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde

There total 13 articles about (6S,7S)-3,5,5,6,7,8,8-heptamethyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde 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: 78.0%

: 167254-78-6
(-)-(2S,3S)-1,2,3,4-tetrahydro-1,1,2,3,4,4,6,7-octamethylnaphthalene

: 167254-80-0,127459-79-4
(-)-(6S,7S)-5,6,7,8-tetrahydro-3,5,5,6,7,8,8-heptamethylnaphthalene-2-carbaldehyde

Guidance literature:: With ammonium cerium(IV) nitrate; In methanol; at 55 ℃;
DOI:10.1002/1522-2675(200202)85:2<533::AID-HLCA533>3.0.CO;2-5

Reference yield:

: 171055-40-6
1,1,2,3,4,4,6,7-octamethyl-1,2,3,4-tetrahydronaphthalene

: 167254-81-1,127459-79-4
(+)-(6R,7R)-5,6,7,8-tetrahydro-3,5,5,6,7,8,8-heptamethylnaphthalene-2-carbaldehyde

: 167254-80-0,127459-79-4
(-)-(6S,7S)-5,6,7,8-tetrahydro-3,5,5,6,7,8,8-heptamethylnaphthalene-2-carbaldehyde

Guidance literature:: With cerium(IV)diammonium nitrate; In methanol; at 50 ℃; Title compound not separated from byproducts.;
DOI:10.1002/1521-3765(20020215)8:4<853::AID-CHEM853>3.0.CO;2-5

Reference yield:

: 95-47-6
o-xylene

: 167254-80-0,127459-79-4
(-)-(6S,7S)-5,6,7,8-tetrahydro-3,5,5,6,7,8,8-heptamethylnaphthalene-2-carbaldehyde

Guidance literature:: Multi-step reaction with 10 steps

1: 67 percent / AlCl₃ / 1 h / 15 - 25 °C

2: 91 percent / LiAlH₄ / diethyl ether / 2.17 h / Heating

3: 90 percent / pyridinium chlorochromate; celite / CH₂Cl₂ / 2 h / 20 °C

4: 93 percent / KO(t-Bu) / 2-methyl-propan-2-ol / 24 h / 20 °C

5: 90 percent / LiAlH₄ / diethyl ether / 2 h / -40 °C

6: 5 percent / N,N-dimethylpyridine-4-amine / pyridine / 1 h / 0 - 20 °C

7: 84 percent / KOH / ethanol; H₂O / 15 h / 80 °C

8: 2.53 g / pyridine / 24 h / 5 - 20 °C

9: 65 percent / LiBHEt₃ / tetrahydrofuran / 4 h / 0 - 20 °C

10: 78 percent / Ce(NH₄)2(NO₃)6 / methanol / 55 °C

With dmap; potassium hydroxide; lithium aluminium tetrahydride; aluminium trichloride; ammonium cerium(IV) nitrate; Celite; potassium tert-butylate; lithium triethylborohydride; pyridinium chlorochromate; In tetrahydrofuran; pyridine; methanol; diethyl ether; ethanol; dichloromethane; water; tert-butyl alcohol;
DOI:10.1002/1522-2675(200202)85:2<533::AID-HLCA533>3.0.CO;2-5