5,5,8a-Trimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalene-1,2-dicarbaldehyde

Base Information

• Chemical Name: 5,5,8a-Trimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalene-1,2-dicarbaldehyde
• CAS No.: 33118-34-2
• Molecular Formula: C₁₅H₂₂O₂
• Molecular Weight: 234.338
• DSSTox Substance ID: DTXSID50954741
• Wikidata: Q82934121
• Mol file: 33118-34-2.mol

Synonyms:CCRIS 1712;DTXSID50954741;LS-188568;5,5,8a-Trimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalene-1,2-dicarbaldehyde

Chemical Property of 5,5,8a-Trimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalene-1,2-dicarbaldehyde

Chemical Property:

• Vapor Pressure: 0.000163mmHg at 25°C
• Boiling Point: 330.7°Cat760mmHg
• Flash Point: 124°C
• PSA: 34.14000
• Density: 1.084g/cm³
• LogP: 3.16310
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 234.161979940
• Heavy Atom Count: 17
• Complexity: 367

Purity/Quality:

Polygodial ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCCC2(C1CC=C(C2C=O)C=O)C)C
• Isomeric SMILES: C[C@@]12CCCC([C@H]1CC=C([C@H]2C=O)C=O)(C)C

Technology Process of 5,5,8a-Trimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalene-1,2-dicarbaldehyde

There total 33 articles about 5,5,8a-Trimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalene-1,2-dicarbaldehyde 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: 95.0%

(4aRS,5SR,8aRS)-<1,2,3,4,5,8,8a-octahydro-6-(hydroxymethyl)-1,1,4a-trimethylnaphthalen-5-yl>methanol (22567-27-7,34437-62-2,79732-75-5,90581-65-0,94942-39-9,106622-50-8,146276-81-5) → polygodial (33118-34-2,72581-70-5)

Guidance literature:

With oxalyl dichloride; dimethyl sulfoxide; at -50 ℃; for 1h;

DOI:10.1039/c39810000507

Reference yield: 84.0%

2-(1,3-dioxolan-2-yl)-1,4,4aα,5,6,7,8,8a-octahydro-5,5,8aβ-trimethylnaphthalene-1β-corboxaldehyde (79801-45-9) → polygodial (33118-34-2,72581-70-5)

Guidance literature:

With hydrogenchloride; In acetone; for 0.5h; Ambient temperature;

DOI:10.1021/jo00239a032

Reference yield: 20.0%

((1S,4aR,8aS)-2-Hydroxymethyl-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydro-naphthalen-1-yl)-methanol (22567-27-7,34437-62-2,79732-75-5,90581-65-0,94942-39-9,106622-50-8,146276-81-5) → (1S,4aR,8aS)-5,5,8a-Trimethyl-1,4,4a,5,6,7,8,8a-octahydro-naphthalene-1,2-dicarbaldehyde (5956-39-8,6752-77-8,6754-20-7,33118-34-2,71536-99-7,90581-66-1,90581-67-2,94372-44-8,109838-20-2,109838-21-3,119238-51-6,126188-20-3,72581-70-5)

Guidance literature:

With dimethyl sulfoxide; triethylamine; trifluoroacetic anhydride; at -60 ℃;

DOI:10.1016/S0040-4039(01)80095-2

upstream raw materials:

(4aRS,5SR,8aRS)-<1,2,3,4,5,8,8a-octahydro-6-(hydroxymethyl)-1,1,4a-trimethylnaphthalen-5-yl>methanol

2-(1,3-dioxolan-2-yl)-1,4,4aα,5,6,7,8,8a-octahydro-5,5,8aβ-trimethylnaphthalene-1β-corboxaldehyde

1,3,3-trimethyl-2-vinylcyclohexene

2,6,6-trimethylcyclohex-1-enecarbaldehyde

Downstream raw materials:

(1R,4aR,8aS)-5,5,8a-Trimethyl-1,4,4a,5,6,7,8,8a-octahydro-naphthalene-1,2-dicarbaldehyde

isotadeonal

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