3,3-Dimethyl-2,4,5a,6,7,8,9,9a-octahydrodibenzofuran-1-one

Base Information

• Chemical Name: 3,3-Dimethyl-2,4,5a,6,7,8,9,9a-octahydrodibenzofuran-1-one
• CAS No.: 92517-43-6
• Molecular Formula: C₁₄H₂₀O₂
• Molecular Weight: 220.312
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID70369737
• Nikkaji Number: J1.736.861C
• Mol file: 92517-43-6.mol

Synonyms:92517-43-6;3,3-dimethyl-2,4,5a,6,7,8,9,9a-octahydrodibenzofuran-1-one;3,3-dimethyl-1,2,3,4,5a,6,7,8,9,9a-decahydrodibenzo[b,d]furan-1-one;3,3-Dimethyl-3,4,5a,6,7,8,9,9a-octahydrodibenzo[b,d]furan-1(2H)-one;HMS562I12;Maybridge1_007404;Oprea1_241935;DTXSID70369737;CCG-42377;FT-0614066;A844257;SR-01000632382-1;3,3-Dimethyl-3,4,5a,6,7,8,9,9a-octahydrodibenzofuran-1(2H)-one;3,3-Dimethyl-1,2,3,4,5a,6,7,8,9,9a-decahydrodibenzo[b,d]furan-1one

Chemical Property of 3,3-Dimethyl-2,4,5a,6,7,8,9,9a-octahydrodibenzofuran-1-one

Chemical Property:

• Vapor Pressure: 0.000118mmHg at 25°C
• Melting Point: 63oC
• Boiling Point: 335.7oC at 760 mmHg
• Flash Point: 144.9oC
• PSA: 26.30000
• Density: 1.09g/cm3
• LogP: 3.21860
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 220.146329876
• Heavy Atom Count: 16
• Complexity: 365

Purity/Quality:

98% ^*data from raw suppliers

3,3-DIMETHYL-1,2,3,4,5A,6,7,8,9,9A-DECAHYDRODIBENZO[B,D]FURAN-1-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC2=C(C3CCCCC3O2)C(=O)C1)C

Technology Process of 3,3-Dimethyl-2,4,5a,6,7,8,9,9a-octahydrodibenzofuran-1-one

There total 3 articles about 3,3-Dimethyl-2,4,5a,6,7,8,9,9a-octahydrodibenzofuran-1-one 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: 71.8%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + dimedone (126-81-8) → 3,3-Dimethyl-3,4,5a,6,7,8,9,9a-octahydro-2H-dibenzofuran-1-one (92517-43-6)

Guidance literature:

With toluene-4-sulfonic acid; In xylene; Heating;

Reference yield: 38.0%

dimedone (126-81-8) + cyclohexene (110-83-8) → (5aS,9aS)-3,3-Dimethyl-3,4,5a,6,7,8,9,9a-octahydro-2H-dibenzofuran-1-one (92517-43-6,136808-89-4)

Guidance literature:

With oxygen; cobalt(II) acetate; In acetic acid; at 70 - 80 ℃;

DOI:10.1016/S0040-4020(01)86573-X

Reference yield:

dimedone (126-81-8) + cyclohexene (110-83-8) → 3,3-Dimethyl-3,4,5a,6,7,8,9,9a-octahydro-2H-dibenzofuran-1-one (92517-43-6)

Guidance literature:

With manganese triacetate; In acetic acid; at 40 ℃; for 1.5h;

DOI:10.1081/SCC-100108239

upstream raw materials:

dimedone

cyclohexene

cyclohexanone

Refernces

• 1、 Iqbal,Bhatia,Nayyar. "Cobalt(II)acetate promoted oxidative addition of 1,3-dicarbonyl compounds to alkenes under aerobic conditions". . p. 6457 - 6468. Retrieved 2007/10/02.