Patchoulane

Base Information

• Chemical Name: Patchoulane
• CAS No.: 25491-20-7
• Molecular Formula: C₁₅H₂₆
• Molecular Weight: 206.371
• DSSTox Substance ID: DTXSID20858828
• Nikkaji Number: J101.681D
• Wikidata: Q81977835
• Mol file: 25491-20-7.mol

Synonyms:Patchoulane;19078-35-4;1H-3a,7-Methanoazulene, octahydro-1,4,9,9-tetramethyl-;4,10,11,11-Tetramethyltricyclo[5.3.1.01,5]undecane;25491-20-7;OCTAHYDRO-1,4,9,9-TETRAMETHYL-1H-3A,7-METHANOAZULENE;Patchulane;DTXSID20858828;CHEBI:167348;MVZZUMCHPFHUOS-UHFFFAOYSA-N

Chemical Property of Patchoulane

Chemical Property:

• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 206.203450829
• Heavy Atom Count: 15
• Complexity: 278

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC23C1CC(C2(C)C)CCC3C

Technology Process of Patchoulane

There total 11 articles about Patchoulane 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:

→ octahydro-1,4,9,9-tetramethyl-1H-3a,7-Methanoazulene (3724-42-3,19078-35-4,25491-20-7)

Guidance literature:

Patchoulenon (I) (ueber mehrere Zwischenstufen);

Reference yield:

cyperene (2387-78-2) → (3aS)-1,4t,9,9-tetramethyl-(8aξ)-octahydro-3ar,7c-methano-azulene; dihydro-cyperene (3724-42-3,19078-35-4,25491-20-7)

Guidance literature:

With hydrogen; platinum; In acetic acid;

Reference yield:

isopatchoul-3-ene → isopatchoulane (3724-42-3,19078-35-4,25491-20-7)

Guidance literature:

With hydrogen; platinum(IV) oxide; In acetic acid; at 30 ℃; for 3h; under 739 Torr; Yield given;

DOI:10.1016/S0031-9422(00)80555-5

upstream raw materials:

1,4,9,9-Tetramethyl-8a-hydroxy-1,2,6,7,8,8a-hexahydro-3H-3a,7-methano-azulen

cyperene

(-)-patchoulenone

Refernces