1,6-Dimethyl-7-oxabicyclo[4.1.0]heptane

Base Information

• Chemical Name: 1,6-Dimethyl-7-oxabicyclo[4.1.0]heptane
• CAS No.: 17612-36-1
• Molecular Formula: C8H14O
• Molecular Weight: 126.199
• DSSTox Substance ID: DTXSID50501693
• Nikkaji Number: J264.183F
• Mol file: 17612-36-1.mol

Synonyms:1,6-Dimethyl-7-oxabicyclo[4.1.0]heptane;17612-36-1;Dimethyl-cyclohexenoxyd;SCHEMBL9133498;DTXSID50501693

Chemical Property of 1,6-Dimethyl-7-oxabicyclo[4.1.0]heptane

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 126.104465066
• Heavy Atom Count: 9
• Complexity: 128

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC12CCCCC1(O2)C

Technology Process of 1,6-Dimethyl-7-oxabicyclo[4.1.0]heptane

There total 9 articles about 1,6-Dimethyl-7-oxabicyclo[4.1.0]heptane 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: 65.0%

cis-1,2-dimethylcyclohexane (2207-01-4) → 1,2-epoxy-1,2-dimethyl-cyclohexane (17612-36-1) + 7-hydroxyoctan-2-one (41368-23-4) + cis-1,2-dimethylcyclohexanol (19879-12-0) + cis-2,3-dimethylcyclohexanone (1551-88-8)

Guidance literature:

With dihydrogen peroxide; methyltrioxorhenium(VII); In tert-butyl alcohol; at 40 ℃; for 72h;

DOI:10.1016/j.tet.2006.10.013

Reference yield: 59.0%

1,2-dimethylcyclohexene (1674-10-8) → 1,2-epoxy-1,2-dimethyl-cyclohexane (17612-36-1) + 2,7-octanedione (1626-09-1) + 2,3-dimethylcyclohex-2-en-1-one (1122-20-9) + 1,2-dimethylcyclohex-2-en-1-ol (51036-24-9) + 1,2-Dimethylcyclohex-1-en-3-ol (52134-09-5) + 1-methyl-2-methylene-1-cyclohexanol (52134-08-4)

Guidance literature:

With oxygen; silica gel; triphenylphosphine; at 30 ℃; for 18h; Product distribution; Irradiation; change the metal oxide or use AIBN instead of them;

DOI:10.1039/f19858100793

Reference yield: 53.0%

cis-1,2-dimethylcyclohexane (2207-01-4) → 1,2-epoxy-1,2-dimethyl-cyclohexane (17612-36-1) + 1,1',2,2'-tetramethyl-1,1'-bi(cyclohexyl) + 7-hydroxyoctan-2-one (41368-23-4) + cis-1,2-dimethylcyclohexanol (19879-12-0)

Guidance literature:

With polystyrene-supported methyltrioxorhenium; dihydrogen peroxide; In tert-butyl alcohol; at 40 ℃; for 72h;

DOI:10.1016/j.tet.2006.10.013

upstream raw materials:

1,2-dimethylcyclohexene

3-bromo-4,5-dihydro-5-hydroperoxy-4,4-dimethyl-3,5-diphenyl-3H-pyrazole

cis-1,2-dimethylcyclohexane

Downstream raw materials:

1-(1-methyl-cyclopentyl)-ethanone

1,2-dimethylcyclohexanol

1,2-dimethylcyclohexane-1,2-diol

1-methyl-2-methylene-1-cyclohexanol