Confertifolin

Base Information

• Chemical Name: Confertifolin
• CAS No.: 1811-23-0
• Molecular Formula: C15H22O2
• Molecular Weight: 234.338
• DSSTox Substance ID: DTXSID30171075
• Nikkaji Number: J14.954C
• Wikidata: Q27106215
• Metabolomics Workbench ID: 169578
• Mol file: 1811-23-0.mol

Synonyms:6,6,9a-trimethyl-4,5,5a,6,7,8,9,9a-octahydronaphtho(1,2-c)furan-3 (1H)-one;confertifolin

Chemical Property of Confertifolin

Chemical Property:

• Vapor Pressure: 1.57E-05mmHg at 25°C
• Boiling Point: 365.5°Cat760mmHg
• Flash Point: 152.9°C
• PSA: 26.30000
• Density: 1.07g/cm³
• LogP: 3.46620
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 234.161979940
• Heavy Atom Count: 17
• Complexity: 405

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCCC2(C1CCC3=C2COC3=O)C)C
• Isomeric SMILES: C[C@]12CCCC([C@@H]1CCC3=C2COC3=O)(C)C

Technology Process of Confertifolin

There total 34 articles about Confertifolin 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%

3-phenylthio-6,6,9aβ-trimethyl-trans-4,5,5a,6,7,8,9,9a-octahydronaphtho<1,2->furan (126087-79-4) → (+/-)-confertifolin (1811-23-0,69779-99-3,123809-45-0)

Guidance literature:

With sulfuric acid; mercury dichloride; In ethanol; at 70 ℃; for 16h;

Reference yield: 75.0%

(5aS,9aS)-1,3-Dimethoxy-6,6,9a-trimethyl-1,3,4,5,5a,6,7,8,9,9a-decahydro-naphtho[1,2-c]furan (81306-20-9,81369-47-3,81369-48-4,81369-51-9,87859-71-0) → (+)-isodrimenin (1684-54-4) + (+)-confertifoline (1811-23-0)

Guidance literature:

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

Reference yield: 10.0%

(5aR,9aR)-1,3-Dimethoxy-6,6,9a-trimethyl-1,3,4,5,5a,6,7,8,9,9a-decahydro-naphtho[1,2-c]furan (81306-20-9,81369-47-3,81369-48-4,81369-51-9,87859-71-0) → (+/-)-confertifolin (1811-23-0,69779-99-3,123809-45-0) + (+/-)-isodrimenin (1684-54-4)

Guidance literature:

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

DOI:10.1016/S0040-4039(01)83030-6

upstream raw materials:

(5aS,9aS)-1,3-Dimethoxy-6,6,9a-trimethyl-1,3,4,5,5a,6,7,8,9,9a-decahydro-naphtho[1,2-c]furan

(+)-winterin

11,12-diethoxy-11,12-epoxydrim-8-ene

13,14-dihydroxy-13-deisopropyldehydroabietane

Downstream raw materials:

(4aS,8aS)-1,2-bis(hydroxymethyl)-5,5,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene

(5aS,9aS)-6,6,9a-Trimethyl-1,3,4,5,5a,6,7,8,9,9a-decahydro-naphtho[1,2-c]furan

(+)-3β-hydroxyconfertifolin

(-)-(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethylnaphthalen-1(2H)-one